 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer01_wB97XD_augccpVDZr.in
 Output=09_L-alanine_conformer01_wB97XD_augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            S    9   1.00
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            ****
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                  5.028000D+02           2.826700D-02
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            S    9   1.00
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                  6.356000D+00          -1.123270D-01
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            ****
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            ****
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            ****
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            ****
            -Al     0
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                  2.189000D+03           1.164590D-02
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/09_L-alanine/Gau-84207.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     84212.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=09_L-alanine_conformer01_wB97XD_augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:21:40 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer01_wB97XD_augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.427002000000     -1.177442000000     -0.238479000000
  C                                                -0.641972000000     -0.024738000000      0.376681000000
  C                                                 0.861565000000     -0.144798000000      0.057109000000
  O                                                 1.452963000000     -1.189459000000      0.072265000000
  N                                                -1.120167000000      1.316111000000      0.005085000000
  O                                                 1.454628000000      1.025837000000     -0.203694000000
  H                                                -0.696010000000     -0.097667000000      1.466774000000
  H                                                -2.464827000000     -1.153806000000      0.096525000000
  H                                                -1.412823000000     -1.109205000000     -1.329075000000
  H                                                -0.983233000000     -2.130910000000      0.041168000000
  H                                                -1.537883000000      1.311542000000     -0.918614000000
  H                                                -1.812681000000      1.664603000000      0.653772000000
  H                                                 0.732350000000      1.693512000000     -0.166585000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 12 19:21:40 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427002   -1.177442   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144798    0.057109
      4          8           0        1.452963   -1.189459    0.072265
      5          7           0       -1.120167    1.316111    0.005085
      6          8           0        1.454628    1.025837   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464827   -1.153806    0.096525
      9          1           0       -1.412823   -1.109205   -1.329075
     10          1           0       -0.983233   -2.130910    0.041168
     11          1           0       -1.537883    1.311542   -0.918614
     12          1           0       -1.812681    1.664603    0.653772
     13          1           0        0.732350    1.693512   -0.166585
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524277   0.000000
     3  C    2.528095   1.541805   0.000000
     4  O    2.896706   2.416195   1.200541   0.000000
     5  N    2.524139   1.471268   2.462564   3.592129   0.000000
     6  O    3.627594   2.415838   1.337957   2.232419   2.599503
     7  H    2.146660   1.093865   2.101289   2.784735   2.077309
     8  H    1.090810   2.162425   3.476282   3.918027   2.813710
     9  H    1.092821   2.163304   2.832742   3.191069   2.783485
    10  H    1.088225   2.159858   2.710752   2.611962   3.449929
    11  H    2.582619   2.065451   2.971584   4.022687   1.013769
    12  H    3.003678   2.073936   3.283524   4.375871   1.010850
    13  H    3.593097   2.266337   1.856373   2.981250   1.898347
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.945839   0.000000
     8  H    4.494786   2.474212   0.000000
     9  H    3.747954   3.058399   1.772297   0.000000
    10  H    3.996020   2.499785   1.775646   1.762383   0.000000
    11  H    3.089961   2.895634   2.822707   2.458482   3.616531
    12  H    3.437816   2.239090   2.946056   3.433013   3.933089
    13  H    0.984303   2.813609   4.289334   3.715962   4.196736
                   11         12         13
    11  H    0.000000
    12  H    1.634798   0.000000
    13  H    2.421860   2.674136   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.33D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427003   -1.177441   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144799    0.057109
      4          8           0        1.452962   -1.189460    0.072265
      5          7           0       -1.120166    1.316112    0.005085
      6          8           0        1.454629    1.025836   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464828   -1.153804    0.096525
      9          1           0       -1.412824   -1.109204   -1.329075
     10          1           0       -0.983234   -2.130909    0.041168
     11          1           0       -1.537882    1.311543   -0.918614
     12          1           0       -1.812680    1.664604    0.653772
     13          1           0        0.732351    1.693511   -0.166585
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.8847515           3.4338653           2.1618198
 Leave Link  202 at Thu Aug 12 19:21:40 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  18 primitive shells out of 224 were deleted.
 There are   213 symmetry adapted cartesian basis functions of A   symmetry.
 There are   201 symmetry adapted basis functions of A   symmetry.
   201 basis functions,   366 primitive gaussians,   213 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.1931013526 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0057863276 Hartrees.
 Nuclear repulsion after empirical dispersion term =      250.1873150250 Hartrees.
 Leave Link  301 at Thu Aug 12 19:21:43 2021, MaxMem=  5368709120 cpu:              11.2 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   201 RedAO= T EigKep=  2.48D-05  NBF=   201
 NBsUse=   201 1.00D-06 EigRej= -1.00D+00 NBFU=   201
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   213   213   213   213   213 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 12 19:21:43 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:21:44 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer01_wB97XD_augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:21:44 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368614535 LenY=  5368568725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.696300022164    
 DIIS: error= 1.91D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.696300022164     IErMin= 1 ErrMin= 1.91D-03
 ErrMax= 1.91D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-03 BMatP= 4.78D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.91D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.413 Goal=   None    Shift=    0.000
 GapD=    0.413 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.42D-03 MaxDP=1.38D-01              OVMax= 1.26D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.42D-03    CP:  1.00D+00
 E= -323.700436200663     Delta-E=       -0.004136178499 Rises=F Damp=F
 DIIS: error= 4.43D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.700436200663     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 4.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-04 BMatP= 4.78D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.43D-03
 Coeff-Com: -0.435D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.433D-01 0.104D+01
 Gap=     0.370 Goal=   None    Shift=    0.000
 RMSDP=9.10D-04 MaxDP=3.82D-02 DE=-4.14D-03 OVMax= 4.66D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.89D-04    CP:  1.00D+00  1.14D+00
 E= -323.700542695428     Delta-E=       -0.000106494765 Rises=F Damp=F
 DIIS: error= 5.43D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -323.700542695428     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 5.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-04 BMatP= 1.18D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.43D-03
 Coeff-Com: -0.475D-01 0.534D+00 0.513D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.473D-01 0.531D+00 0.516D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.24D-04 MaxDP=4.85D-03 DE=-1.06D-04 OVMax= 1.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.55D-05    CP:  1.00D+00  1.16D+00  1.11D+00
 E= -323.700619128851     Delta-E=       -0.000076433423 Rises=F Damp=F
 DIIS: error= 6.26D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.700619128851     IErMin= 4 ErrMin= 6.26D-05
 ErrMax= 6.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-06 BMatP= 1.11D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.253D-02-0.290D-01 0.737D-01 0.958D+00
 Coeff:     -0.253D-02-0.290D-01 0.737D-01 0.958D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=9.59D-05 MaxDP=4.93D-03 DE=-7.64D-05 OVMax= 7.19D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.92D-05    CP:  1.00D+00  1.16D+00  1.27D+00  1.19D+00
 E= -323.700621988645     Delta-E=       -0.000002859794 Rises=F Damp=F
 DIIS: error= 3.56D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.700621988645     IErMin= 5 ErrMin= 3.56D-05
 ErrMax= 3.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-07 BMatP= 2.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.308D-02-0.601D-01-0.134D-01 0.449D+00 0.621D+00
 Coeff:      0.308D-02-0.601D-01-0.134D-01 0.449D+00 0.621D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.01D-05 MaxDP=1.06D-03 DE=-2.86D-06 OVMax= 2.96D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.89D-06    CP:  1.00D+00  1.17D+00  1.30D+00  1.27D+00  1.06D+00
 E= -323.700622602221     Delta-E=       -0.000000613576 Rises=F Damp=F
 DIIS: error= 1.18D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.700622602221     IErMin= 6 ErrMin= 1.18D-05
 ErrMax= 1.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-08 BMatP= 6.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.258D-01-0.130D-01 0.124D+00 0.288D+00 0.625D+00
 Coeff:      0.173D-02-0.258D-01-0.130D-01 0.124D+00 0.288D+00 0.625D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=4.93D-06 MaxDP=2.38D-04 DE=-6.14D-07 OVMax= 8.16D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.26D-06    CP:  1.00D+00  1.17D+00  1.31D+00  1.29D+00  1.12D+00
                    CP:  1.13D+00
 E= -323.700622662061     Delta-E=       -0.000000059840 Rises=F Damp=F
 DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.700622662061     IErMin= 7 ErrMin= 3.17D-06
 ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.61D-09 BMatP= 7.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-04 0.217D-02-0.129D-02-0.402D-01-0.173D-01 0.221D+00
 Coeff-Com:  0.836D+00
 Coeff:      0.151D-04 0.217D-02-0.129D-02-0.402D-01-0.173D-01 0.221D+00
 Coeff:      0.836D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=1.07D-04 DE=-5.98D-08 OVMax= 4.03D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.57D-07    CP:  1.00D+00  1.17D+00  1.31D+00  1.30D+00  1.16D+00
                    CP:  1.22D+00  1.04D+00
 E= -323.700622670858     Delta-E=       -0.000000008797 Rises=F Damp=F
 DIIS: error= 6.36D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.700622670858     IErMin= 8 ErrMin= 6.36D-07
 ErrMax= 6.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-10 BMatP= 6.61D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.980D-04 0.202D-02 0.626D-03-0.161D-01-0.224D-01-0.445D-02
 Coeff-Com:  0.172D+00 0.868D+00
 Coeff:     -0.980D-04 0.202D-02 0.626D-03-0.161D-01-0.224D-01-0.445D-02
 Coeff:      0.172D+00 0.868D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=4.72D-07 MaxDP=1.69D-05 DE=-8.80D-09 OVMax= 9.65D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.65D-07    CP:  1.00D+00  1.17D+00  1.31D+00  1.30D+00  1.17D+00
                    CP:  1.24D+00  1.08D+00  1.17D+00
 E= -323.700622671296     Delta-E=       -0.000000000438 Rises=F Damp=F
 DIIS: error= 2.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.700622671296     IErMin= 9 ErrMin= 2.67D-07
 ErrMax= 2.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-11 BMatP= 2.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.322D-04 0.497D-03 0.289D-03-0.234D-02-0.597D-02-0.205D-01
 Coeff-Com: -0.153D-02 0.303D+00 0.726D+00
 Coeff:     -0.322D-04 0.497D-03 0.289D-03-0.234D-02-0.597D-02-0.205D-01
 Coeff:     -0.153D-02 0.303D+00 0.726D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.18D-07 MaxDP=6.24D-06 DE=-4.38D-10 OVMax= 3.26D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.99D-08    CP:  1.00D+00  1.17D+00  1.31D+00  1.30D+00  1.17D+00
                    CP:  1.24D+00  1.09D+00  1.24D+00  1.07D+00
 E= -323.700622671359     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 8.86D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.700622671359     IErMin=10 ErrMin= 8.86D-08
 ErrMax= 8.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-12 BMatP= 4.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.286D-05-0.119D-03-0.195D-06 0.158D-02 0.150D-02-0.626D-02
 Coeff-Com: -0.228D-01-0.370D-01 0.192D+00 0.871D+00
 Coeff:      0.286D-05-0.119D-03-0.195D-06 0.158D-02 0.150D-02-0.626D-02
 Coeff:     -0.228D-01-0.370D-01 0.192D+00 0.871D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=6.51D-08 MaxDP=4.64D-06 DE=-6.28D-11 OVMax= 1.61D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.63D-08    CP:  1.00D+00  1.17D+00  1.31D+00  1.30D+00  1.17D+00
                    CP:  1.23D+00  1.09D+00  1.26D+00  1.18D+00  1.23D+00
 E= -323.700622671365     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 2.24D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -323.700622671365     IErMin=11 ErrMin= 2.24D-08
 ErrMax= 2.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-13 BMatP= 4.38D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.433D-05-0.883D-04-0.365D-04 0.701D-03 0.112D-02-0.408D-04
 Coeff-Com: -0.616D-02-0.397D-01-0.968D-02 0.266D+00 0.788D+00
 Coeff:      0.433D-05-0.883D-04-0.365D-04 0.701D-03 0.112D-02-0.408D-04
 Coeff:     -0.616D-02-0.397D-01-0.968D-02 0.266D+00 0.788D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.62D-08 MaxDP=1.03D-06 DE=-6.59D-12 OVMax= 5.66D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.19D-09    CP:  1.00D+00  1.17D+00  1.31D+00  1.30D+00  1.17D+00
                    CP:  1.23D+00  1.09D+00  1.26D+00  1.21D+00  1.31D+00
                    CP:  1.12D+00
 E= -323.700622671361     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 6.05D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -323.700622671365     IErMin=12 ErrMin= 6.05D-09
 ErrMax= 6.05D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-14 BMatP= 4.53D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-07 0.723D-05-0.386D-05-0.130D-03-0.433D-04 0.633D-03
 Coeff-Com:  0.212D-02 0.526D-03-0.249D-01-0.783D-01 0.605D-01 0.104D+01
 Coeff:     -0.132D-07 0.723D-05-0.386D-05-0.130D-03-0.433D-04 0.633D-03
 Coeff:      0.212D-02 0.526D-03-0.249D-01-0.783D-01 0.605D-01 0.104D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=5.97D-09 MaxDP=2.36D-07 DE= 4.32D-12 OVMax= 3.22D-07

 SCF Done:  E(RwB97XD) =  -323.700622671     A.U. after   12 cycles
            NFock= 12  Conv=0.60D-08     -V/T= 2.0061
 KE= 3.217243455893D+02 PE=-1.257855877335D+03 EE= 3.622435940489D+02
 Leave Link  502 at Thu Aug 12 19:22:20 2021, MaxMem=  5368709120 cpu:             277.5 elap:              35.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   201
 NBasis=   201 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    201 NOA=    24 NOB=    24 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.47376865D+02

 Leave Link  801 at Thu Aug 12 19:22:20 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4022 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D+00 3.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.08D-14 8.33D-09 XBig12= 2.06D-01 7.57D-02.
     11 vectors produced by pass  2 Test12= 7.08D-14 8.33D-09 XBig12= 3.25D-02 4.75D-02.
     11 vectors produced by pass  3 Test12= 7.08D-14 8.33D-09 XBig12= 2.21D-03 1.08D-02.
     11 vectors produced by pass  4 Test12= 7.08D-14 8.33D-09 XBig12= 1.20D-04 2.36D-03.
     11 vectors produced by pass  5 Test12= 7.08D-14 8.33D-09 XBig12= 3.38D-06 2.72D-04.
     11 vectors produced by pass  6 Test12= 7.08D-14 8.33D-09 XBig12= 7.48D-08 3.34D-05.
     11 vectors produced by pass  7 Test12= 7.08D-14 8.33D-09 XBig12= 1.20D-09 6.73D-06.
     11 vectors produced by pass  8 Test12= 7.08D-14 8.33D-09 XBig12= 2.06D-11 7.55D-07.
      7 vectors produced by pass  9 Test12= 7.08D-14 8.33D-09 XBig12= 2.17D-13 7.26D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.599172D+02
      2 -0.110008D+01  0.615859D+02
      3 -0.401229D+00 -0.549323D+00  0.449855D+02
 Isotropic polarizability for W=    0.093368       55.50 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.436472D+02 -0.425885D+00 -0.103934D+01
      2   0.266478D+02 -0.767129D+01  0.131900D+01
      3   0.169994D+02  0.809717D+01 -0.279657D+00
      4  -0.112407D+02 -0.218729D+02 -0.569682D+01
      5  -0.128249D+01 -0.679021D+01 -0.419493D+02
      6  -0.436607D+01 -0.223297D+01 -0.655357D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.574882D+00  0.223758D+01  0.552197D+01
      2  -0.328582D+01 -0.176488D+01 -0.188719D+02
      3   0.327349D+01  0.107561D+02  0.131743D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.109339D+01 -0.355197D+01  0.146507D+02
      2   0.243151D+00 -0.133075D+01 -0.589487D+02
      3  -0.108148D+02  0.485207D+02  0.242414D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.497071D+00 -0.151540D+00 -0.171937D+01
      2  -0.151540D+00  0.613471D+00  0.725461D+00
      3  -0.171937D+01  0.725461D+00  0.110354D-01
 OR G Eigenvalues:    -2.0322     0.3140     1.8456  Iso=    -0.0425
 Eigenvectors:
   (1)   0.732333  -0.140744   0.666243
   (2)   0.414376   0.868507  -0.272009
   (3)  -0.540352   0.475276   0.694357
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0425 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =      -26.87 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20301 ScalPx= 5.91D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.48D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.61D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 2.20D-02 4.77D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.61D-04 3.89D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 5.35D-06 2.97D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 4.79D-08 2.76D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 4.22D-10 2.38D-06.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 2.70D-12 1.77D-07.
     22 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 1.46D-14 1.16D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   232 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 1.94D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 1.94D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.28D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.599172D+02 -0.110008D+01 -0.401229D+00
      2  -0.110008D+01  0.615859D+02 -0.549323D+00
      3  -0.401229D+00 -0.549323D+00  0.449855D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.574882D+00  0.223758D+01  0.552197D+01
      2  -0.328582D+01 -0.176488D+01 -0.188719D+02
      3   0.327349D+01  0.107561D+02  0.131743D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.436472D+02 -0.425885D+00 -0.103934D+01
      2   0.266478D+02 -0.767129D+01  0.131900D+01
      3   0.169994D+02  0.809717D+01 -0.279657D+00
      4  -0.112407D+02 -0.218729D+02 -0.569682D+01
      5  -0.128249D+01 -0.679021D+01 -0.419493D+02
      6  -0.436607D+01 -0.223297D+01 -0.655357D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.509485D+01 -0.631470D+00 -0.239534D+01 -0.173906D+01 -0.340502D+01
      2  -0.631470D+00 -0.458932D+01 -0.212921D+00 -0.340502D+01  0.249339D+01
      3  -0.239534D+01 -0.212921D+00  0.293372D-01 -0.307877D+00 -0.202722D+01
                 6             7             8             9            10 
      1  -0.307877D+00 -0.290217D+01 -0.677738D+00  0.420986D+00 -0.405381D+01
      2  -0.202722D+01 -0.677738D+00 -0.240543D+01 -0.609642D-01  0.110301D+01
      3  -0.326506D+00  0.420986D+00 -0.609642D-01  0.699972D+01  0.665537D+00
                11            12            13            14            15 
      1   0.110301D+01  0.665537D+00  0.128753D+01  0.297093D+01  0.439582D+00
      2   0.415091D+01  0.462892D+00  0.297093D+01 -0.161231D+01  0.118424D+01
      3   0.462892D+00  0.139395D+00  0.439582D+00  0.118424D+01  0.692643D+00
                16            17            18            19            20 
      1   0.691277D+00  0.961158D+00  0.301609D+00  0.280219D+01  0.859059D+00
      2   0.961158D+00  0.202237D+01  0.258030D+00  0.859059D+00 -0.346445D+01
      3   0.301609D+00  0.258030D+00 -0.685245D+01 -0.235250D-01  0.239387D+00
                21            22            23            24            25 
      1  -0.235250D-01  0.225961D+01 -0.427617D+01  0.182606D+00 -0.706138D+00
      2   0.239387D+00 -0.427617D+01  0.336542D+01  0.254434D-01  0.506011D+00
      3   0.151073D+00  0.182606D+00  0.254434D-01  0.500443D+00  0.506754D-01
                26            27            28            29            30 
      1   0.506011D+00  0.506754D-01  0.546985D+01 -0.425013D+01  0.215861D+00
      2  -0.391812D+00  0.271232D+00 -0.425013D+01  0.408528D+01 -0.301201D+00
      3   0.271232D+00  0.518427D+00  0.215861D+00 -0.301201D+00  0.104869D+01
                31            32            33            34            35 
      1  -0.478525D+01  0.393456D+01  0.602477D-02  0.367610D+00 -0.224284D-01
      2   0.393456D+01 -0.101080D+02  0.133988D+00 -0.224284D-01  0.495135D-01
      3   0.602477D-02  0.133988D+00 -0.227700D+01  0.199367D+01 -0.275914D+01
                36            37            38            39            40 
      1   0.199367D+01  0.306293D+01 -0.171049D+01 -0.831207D+00 -0.131672D+01
      2  -0.275914D+01 -0.171049D+01 -0.630939D+00  0.355741D+00 -0.786464D+00
      3   0.149960D+00 -0.831207D+00  0.355741D+00  0.273837D+01  0.431344D+00
                41            42            43            44            45 
      1  -0.786464D+00  0.431344D+00 -0.106344D+01  0.648352D+00  0.301001D+01
      2   0.534175D+01 -0.918029D+00  0.648352D+00 -0.104811D+01 -0.320685D+00
      3  -0.918029D+00 -0.185454D+00  0.301001D+01 -0.320685D+00  0.297409D+01
                46            47            48            49            50 
      1   0.709254D+01  0.163853D+01 -0.686572D+00 -0.182235D+01  0.372850D+01
      2   0.163853D+01  0.354067D+01 -0.356014D+00  0.372850D+01  0.235496D+01
      3  -0.686572D+00 -0.356014D+00  0.847804D+00 -0.196449D-01 -0.358351D+00
                51            52            53            54            55 
      1  -0.196449D-01 -0.813912D+00 -0.502338D+00  0.128902D+01  0.150898D+00
      2  -0.358351D+00 -0.502338D+00 -0.398527D+00  0.170057D+01 -0.170030D+00
      3   0.880352D+00  0.128902D+01  0.170057D+01 -0.111846D+01  0.971381D+00
                56            57            58            59            60 
      1  -0.170030D+00  0.971381D+00 -0.486946D+00 -0.703704D+00  0.116890D-01
      2  -0.726801D+00 -0.452719D-01 -0.703704D+00  0.657215D-01  0.107061D+01
      3  -0.452719D-01 -0.497456D+00  0.116890D-01  0.107061D+01 -0.489389D+00
                61            62            63            64            65 
      1   0.171888D+01 -0.117314D+00 -0.617921D+00 -0.926927D+01 -0.141434D+01
      2  -0.117314D+00  0.144442D+01 -0.509909D-01 -0.141434D+01 -0.136434D+01
      3  -0.617921D+00 -0.509909D-01  0.882284D+01  0.148700D+01  0.110757D+00
                66            67            68            69            70 
      1   0.148700D+01  0.239974D+00 -0.775786D+00  0.126429D+00  0.236401D+01
      2   0.110757D+00 -0.775786D+00 -0.589115D+00  0.471741D+00  0.378601D+00
      3  -0.156912D+01  0.126429D+00  0.471741D+00  0.921151D-01 -0.138260D+01
                71            72            73            74            75 
      1   0.378601D+00 -0.138260D+01 -0.724076D+00 -0.117047D+00 -0.628284D+00
      2   0.964485D+00 -0.218823D+00 -0.117047D+00  0.536048D+00  0.624573D-01
      3  -0.218823D+00  0.319738D+00 -0.628284D+00  0.624573D-01  0.832211D-01
                76            77            78            79            80 
      1   0.355486D+00  0.202118D+00  0.171307D+00 -0.137914D+01 -0.368330D+00
      2   0.202118D+00 -0.400048D+00 -0.718331D+00 -0.368330D+00 -0.173388D+01
      3   0.171307D+00 -0.718331D+00  0.336944D+00 -0.975725D+00 -0.926007D+00
                81            82            83            84            85 
      1  -0.975725D+00  0.825894D+00 -0.591154D+00  0.484553D+00 -0.143522D+01
      2  -0.926007D+00 -0.591154D+00  0.249687D+01 -0.130145D+00  0.964639D+00
      3  -0.843513D+01  0.484553D+00 -0.130145D+00  0.632044D+00 -0.219879D+00
                86            87            88            89            90 
      1   0.964639D+00 -0.219879D+00  0.756074D+00  0.674067D-01  0.165335D+00
      2  -0.820044D+01  0.102462D+01  0.674067D-01  0.163783D+01 -0.112423D+01
      3   0.102462D+01 -0.137593D+01  0.165335D+00 -0.112423D+01  0.746741D-01
                91            92            93            94            95 
      1  -0.155073D+01  0.106461D+01 -0.133385D+01  0.765544D+00 -0.200361D+00
      2   0.106461D+01 -0.653947D+00  0.634480D+00 -0.200361D+00  0.709969D+00
      3  -0.133385D+01  0.634480D+00 -0.189293D+01  0.306892D+00 -0.394589D+00
                96            97            98            99           100 
      1   0.306892D+00 -0.277931D+01  0.748390D+00 -0.253336D+01 -0.460925D+01
      2  -0.394589D+00  0.748390D+00 -0.191673D+01  0.113288D+01  0.273592D+01
      3   0.210219D+00 -0.253336D+01  0.113288D+01 -0.539505D+01  0.168481D+01
               101           102           103           104           105 
      1   0.273592D+01  0.168481D+01  0.292515D+01 -0.160402D+01 -0.947777D+00
      2  -0.231983D+01 -0.104523D+01 -0.160402D+01  0.200716D+01  0.763817D+00
      3  -0.104523D+01 -0.175571D+01 -0.947777D+00  0.763817D+00  0.971883D+00
               106           107           108           109           110 
      1   0.338912D+01 -0.157543D+01 -0.204615D+01 -0.429202D+01  0.148355D+01
      2  -0.157543D+01  0.187789D+01  0.136964D+01  0.148355D+01 -0.106015D+01
      3  -0.204615D+01  0.136964D+01  0.219031D+01  0.389634D+00  0.225072D+00
               111           112           113           114           115 
      1   0.389634D+00  0.375226D+01 -0.492175D-01 -0.180697D+00  0.357131D+00
      2   0.225072D+00 -0.492175D-01  0.457151D+01 -0.257942D+00 -0.463421D-01
      3   0.452737D-01 -0.180697D+00 -0.257942D+00  0.969674D+00  0.324449D+00
               116           117 
      1  -0.463421D-01  0.324449D+00
      2  -0.102035D+00  0.728505D+00
      3   0.728505D+00 -0.248674D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.443954D+01 -0.540932D-01 -0.533513D+00 -0.752927D+00 -0.694033D+01
      2   0.652671D+01  0.166577D+01  0.125620D+01  0.188869D+01  0.280515D+01
      3  -0.798884D+01 -0.944307D+01  0.306583D+01 -0.127957D+01  0.127022D+02
                 6             7             8             9            10 
      1  -0.266719D+01  0.109897D+01  0.223831D+01  0.886192D+01  0.106152D+01
      2   0.843604D+00 -0.332795D+01 -0.680618D-01 -0.984454D+01  0.847357D+00
      3  -0.315300D+01  0.324870D+01 -0.315817D+01 -0.929529D+00  0.398685D+01
                11            12            13            14            15 
      1   0.115100D+01 -0.148329D+00  0.183826D+01  0.605656D+00  0.745295D+00
      2   0.143897D+01  0.308735D+01 -0.120784D+01 -0.366582D+01 -0.106953D+01
      3  -0.213499D+01 -0.117527D+01  0.119019D+01 -0.311044D+01  0.149586D+01
                16            17            18            19            20 
      1  -0.924645D-02  0.527451D+01 -0.851228D+00  0.912159D-01  0.112590D+01
      2  -0.322833D+01 -0.563111D+00  0.227660D+01 -0.495649D+01 -0.185608D+01
      3   0.597322D+00  0.278080D+01 -0.354004D+00  0.350898D+01  0.313560D+01
                21            22            23            24            25 
      1  -0.128657D+01  0.212132D+01  0.108664D+01  0.820427D+01  0.235430D+01
      2  -0.607503D+01 -0.169225D+01  0.128108D+01  0.266483D+01 -0.177927D+02
      3   0.726606D+00  0.237940D+01 -0.641289D+01 -0.178701D+01 -0.344766D+00
                26            27            28            29            30 
      1   0.993771D+01 -0.214900D+01 -0.299317D+00  0.336407D+00  0.428610D+01
      2  -0.946337D+00  0.353321D+01 -0.143764D+00  0.117118D+00  0.703152D+01
      3  -0.312652D+01 -0.690025D+00 -0.222530D+01 -0.850099D+01  0.157182D+00
                31            32            33            34            35 
      1  -0.291812D+00 -0.782335D+00 -0.878952D+01 -0.620878D+00  0.151198D+01
      2   0.182684D+01 -0.420622D+00 -0.474323D+01  0.304459D+01 -0.203786D+01
      3   0.669855D+01  0.134755D+02  0.363726D+00  0.761250D+00  0.690809D+00
                36            37            38            39            40 
      1   0.338938D+00  0.218901D+01 -0.180006D+01 -0.549126D+01 -0.281782D+01
      2  -0.997730D+00  0.193344D+01 -0.224692D+01  0.627848D+00 -0.134755D+01
      3   0.314637D+01  0.469028D+01 -0.106515D+02 -0.340529D+00  0.170016D+01
                41            42            43            44            45 
      1   0.312395D+01 -0.431551D+01 -0.741977D+01  0.533318D+01 -0.463514D+01
      2   0.186050D+01  0.879463D+00 -0.708883D+01  0.164679D+01 -0.250532D+01
      3   0.277977D+01  0.186336D+00 -0.155525D+01  0.410123D+00  0.568131D+01
                46            47            48            49            50 
      1   0.133785D+01 -0.124037D+01 -0.347378D+01 -0.786160D+00  0.578324D+00
      2   0.180774D+01 -0.426250D+00  0.597314D+01 -0.829072D+00 -0.243518D+00
      3   0.130949D+02 -0.131803D+02 -0.392704D+00 -0.805442D+01  0.197860D+01
                51            52            53            54            55 
      1  -0.513636D+01 -0.239657D+01  0.137638D+01  0.147390D+01  0.150280D+00
      2   0.119209D+01  0.358654D+01  0.224189D+01 -0.227814D+01 -0.111206D+00
      3   0.595232D+00 -0.132845D+01  0.193795D+01 -0.140276D+01 -0.675310D+00
                56            57            58            59            60 
      1  -0.754680D+00 -0.294283D+00 -0.812770D+00  0.218158D+00 -0.616910D+00
      2  -0.236532D+00  0.440074D+00  0.211975D+00  0.212069D+00  0.583873D+00
      3  -0.126808D+01  0.117344D+00  0.805443D+00  0.517635D+00  0.747440D+00
                61            62            63            64            65 
      1  -0.587183D+00  0.306049D+01  0.102642D+01  0.169214D+01 -0.931483D-01
      2  -0.249148D+01  0.339227D+00 -0.515287D+01 -0.368242D+01 -0.136100D+00
      3  -0.434266D+00  0.827418D+00  0.207761D+00  0.100730D+02 -0.351730D+01
                66            67            68            69            70 
      1  -0.223991D+01  0.193700D+00  0.642996D+00 -0.577480D+00 -0.145751D+01
      2   0.570736D+01 -0.304367D+00 -0.690666D+00 -0.312885D+00  0.145200D+01
      3  -0.211937D+01  0.247608D-01 -0.160404D+00  0.672375D+00 -0.230144D+01
                71            72            73            74            75 
      1   0.721499D+00  0.377755D+00 -0.665477D+00 -0.264553D+00 -0.219806D+00
      2   0.126222D+00 -0.115862D+01  0.693813D+00 -0.109853D+00  0.753821D+00
      3   0.183901D+01  0.133321D+01  0.688232D+00  0.192321D+00  0.803873D+00
                76            77            78            79            80 
      1  -0.541783D-01 -0.101358D+01 -0.521380D+00 -0.930728D+00  0.262236D+01
      2  -0.147502D+00  0.985039D+00 -0.265737D+00 -0.206545D+01  0.941614D+00
      3   0.765527D+00 -0.961573D+00 -0.919774D+00  0.161918D+01 -0.233408D+01
                81            82            83            84            85 
      1  -0.112208D+02  0.113729D+01 -0.544664D+00  0.175914D+01 -0.819599D+00
      2   0.127716D+02 -0.742598D+00 -0.102990D+00 -0.188885D+00  0.210029D+00
      3   0.642179D-01 -0.446211D+01  0.445534D+01 -0.139898D+01  0.677032D+01
                86            87            88            89            90 
      1   0.315672D+01 -0.445882D+01  0.487225D+00 -0.740348D+00  0.508403D+00
      2  -0.963304D+00  0.145957D+01 -0.120028D+01  0.105448D+01  0.477715D-01
      3  -0.144368D+02  0.226543D+01 -0.184557D+01  0.256228D+01 -0.183972D+01
                91            92            93            94            95 
      1   0.239122D+01 -0.435738D+00  0.377983D+01 -0.495659D+00  0.130353D+01
      2   0.546549D+00 -0.683158D+00  0.289450D+01 -0.455524D+00  0.320406D+00
      3  -0.123492D+01  0.115043D+00 -0.129842D+01  0.181086D+01  0.215016D+00
                96            97            98            99           100 
      1  -0.830793D+00  0.531233D+01  0.816484D-01  0.958816D+01 -0.316206D+01
      2  -0.473431D+00  0.813901D+00 -0.161430D+01  0.630279D+01 -0.931237D+00
      3   0.283538D+00 -0.438900D+01 -0.194726D+01 -0.336875D+01 -0.523755D+01
               101           102           103           104           105 
      1   0.160362D+01  0.380039D+01  0.199485D+01 -0.952772D+00 -0.185241D+01
      2   0.142930D+01  0.313188D+01  0.996683D+00 -0.692198D+00 -0.158382D+01
      3   0.923710D-01  0.161757D+01  0.452925D+01  0.492433D+00 -0.105205D+01
               106           107           108           109           110 
      1   0.387844D+01 -0.110594D+01 -0.358135D+01 -0.148413D+01  0.970388D+00
      2   0.116688D+01 -0.156858D+01 -0.301000D+01 -0.198764D+01  0.871890D+00
      3   0.508888D+01  0.353587D+00 -0.210158D+01 -0.136679D+02  0.990988D+01
               111           112           113           114           115 
      1   0.619896D-01  0.882547D+00 -0.752121D+00 -0.167716D+01 -0.259734D+00
      2  -0.214583D+01  0.849885D+00 -0.788116D+00  0.825202D+00 -0.283001D+01
      3   0.511788D+00  0.126206D+02 -0.762906D+01  0.101354D+00  0.883402D+00
               116           117 
      1   0.483909D+00 -0.129368D-01
      2   0.998063D+00  0.215821D+00
      3  -0.835961D+00  0.253499D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.300770D+02 -0.812008D+01  0.104571D+02 -0.258639D+01  0.146558D+02
      2   0.149905D+02  0.123604D+02 -0.589016D+01  0.731842D+01 -0.157958D+02
      3   0.150865D+02 -0.424030D+01 -0.456692D+01 -0.473203D+01  0.114008D+01
      4  -0.921321D+01  0.106083D+02  0.591890D+01  0.131685D+02  0.507493D+01
      5   0.102218D+02  0.173546D+01  0.376294D+00  0.174515D+01  0.676113D+01
      6   0.770718D+01  0.163714D+01  0.359137D+00  0.189431D+01  0.885715D+01
                 6             7             8             9            10 
      1  -0.319035D+01  0.127357D+02 -0.127171D+01  0.505558D+01  0.570392D+01
      2   0.570431D+01 -0.454766D+01  0.549795D+01  0.805129D+01 -0.135692D+01
      3  -0.251396D+01 -0.818807D+01 -0.422624D+01 -0.131069D+02 -0.434700D+01
      4   0.516564D+01  0.777293D+01  0.664809D+01  0.236165D+01 -0.246683D+01
      5   0.156435D+01 -0.388431D+00  0.138897D+01 -0.187729D+02 -0.231714D+01
      6   0.313559D+01 -0.852990D-01  0.110034D+01 -0.128445D+02 -0.360454D+00
                11            12            13            14            15 
      1  -0.510929D+01  0.310919D+00 -0.882440D+00  0.472819D+00 -0.202028D+01
      2   0.495631D+01 -0.270774D+00 -0.265537D+00 -0.802496D+01  0.743124D+00
      3   0.152978D+00 -0.401458D-01  0.114798D+01  0.755214D+01  0.127716D+01
      4  -0.381091D+01 -0.142979D+01 -0.160761D+02 -0.651966D+00 -0.337688D+01
      5  -0.134070D+01  0.104418D+01 -0.250539D+01 -0.249959D+01 -0.181118D+01
      6  -0.293757D+01  0.682704D+00 -0.262931D+01 -0.236161D+01 -0.521939D+01
                16            17            18            19            20 
      1  -0.646137D+01 -0.258406D+01  0.828325D+01 -0.835211D+01 -0.216145D+01
      2  -0.544142D+00  0.196790D+01  0.984588D+01 -0.816367D-01  0.480630D+01
      3   0.700551D+01  0.616155D+00 -0.181291D+02  0.843374D+01 -0.264485D+01
      4  -0.160448D+01 -0.652678D+01 -0.234729D+01  0.794030D+01 -0.198424D+02
      5  -0.769181D+00 -0.821442D+00  0.112923D+02 -0.173462D+01  0.221576D+01
      6  -0.778679D+00  0.122647D+01  0.199011D+01 -0.241799D+00  0.420913D+00
                21            22            23            24            25 
      1  -0.227699D+01  0.109361D+02 -0.105147D+01 -0.644954D+00  0.156141D+01
      2  -0.133570D+01 -0.511176D+01 -0.759407D+01 -0.198231D+01 -0.230111D+01
      3   0.361270D+01 -0.582437D+01  0.864554D+01  0.262727D+01  0.739703D+00
      4   0.109687D+01 -0.241276D+02  0.126680D+02  0.867142D+00  0.176033D+01
      5  -0.750893D+01  0.314550D+01 -0.224587D+00  0.368961D+01  0.122064D+01
      6   0.908202D+00  0.156104D+00  0.168322D+01 -0.136871D+02 -0.374359D-01
                26            27            28            29            30 
      1   0.625643D+00 -0.636723D+01  0.236794D+02 -0.677531D+01  0.523761D+00
      2   0.688855D+00 -0.547076D+01 -0.929870D+01 -0.222126D+01 -0.333370D+00
      3  -0.131450D+01  0.118380D+02 -0.143807D+02  0.899657D+01 -0.190392D+00
      4   0.461024D+01  0.235241D+01 -0.240627D+02  0.259276D+02 -0.129208D+01
      5   0.885535D+00  0.303006D+01  0.277607D+01 -0.169164D+01  0.113013D+02
      6   0.402749D+01  0.201671D+01 -0.539402D+00  0.391837D+00 -0.623524D+01
                31            32            33            34            35 
      1  -0.108687D+02 -0.566279D+01 -0.149579D+00  0.366064D+00  0.232184D+00
      2  -0.808046D+00  0.207705D+02  0.939610D+00  0.418942D+00  0.533814D+00
      3   0.116767D+02 -0.151078D+02 -0.790032D+00 -0.785006D+00 -0.765998D+00
      4   0.284170D+02 -0.360223D+02  0.831512D+00 -0.275719D+00 -0.426519D+00
      5  -0.195622D+01  0.201169D+01 -0.930983D+01  0.119637D+02 -0.932641D+01
      6   0.659990D+00 -0.360349D+00  0.137514D+02 -0.492516D+01  0.103252D+02
                36            37            38            39            40 
      1   0.435537D+00  0.392018D+01  0.105783D+02  0.182001D+01  0.834160D+01
      2  -0.176293D+01 -0.458837D+01 -0.888896D+01  0.224220D+01 -0.523041D+01
      3   0.132739D+01  0.668188D+00 -0.168930D+01 -0.406221D+01 -0.311118D+01
      4  -0.956652D+01  0.127641D+02 -0.780123D+00 -0.328954D+01  0.585010D+01
      5   0.621134D+00  0.354581D+01 -0.298327D+01 -0.623079D+01 -0.219361D+01
      6  -0.646968D+00 -0.429215D+01  0.371186D+01  0.831227D+01  0.354861D+01
                41            42            43            44            45 
      1  -0.120309D+02 -0.158410D+00  0.152281D+01 -0.157776D+01 -0.973028D+01
      2   0.232068D+02 -0.240863D+01  0.326266D+01 -0.252267D+01  0.623805D+01
      3  -0.111759D+02  0.256704D+01 -0.478548D+01  0.410043D+01  0.349223D+01
      4  -0.108101D+02  0.365147D+01 -0.574111D+01  0.436185D+01  0.928110D+01
      5   0.274267D+01  0.126111D+01 -0.722104D+01  0.424569D+01 -0.810204D+01
      6  -0.378291D+01  0.493526D+01  0.112904D+02  0.152477D+01  0.550559D+01
                46            47            48            49            50 
      1   0.221561D+02  0.355631D+01 -0.199324D-01 -0.329065D+01  0.968822D+00
      2  -0.123270D+02  0.297374D+01  0.148645D+01  0.740392D+01  0.638468D+01
      3  -0.982906D+01 -0.653005D+01 -0.146652D+01 -0.411327D+01 -0.735351D+01
      4   0.220537D+02  0.192954D+02 -0.168643D+01  0.141829D+02  0.150373D+02
      5  -0.253551D+01 -0.103612D+01  0.110791D+02  0.181589D+00 -0.142629D+01
      6  -0.138320D+01 -0.774651D+00  0.552437D+01 -0.810564D+00 -0.193178D+01
                51            52            53            54            55 
      1   0.175002D+01  0.331317D+00  0.553533D+00  0.135904D+00  0.730869D+00
      2  -0.260682D+00  0.114810D+01 -0.706393D+00 -0.411410D+01 -0.342195D+01
      3  -0.148933D+01 -0.147941D+01  0.152860D+00  0.397820D+01  0.269108D+01
      4  -0.127648D+01 -0.201816D+01 -0.231077D+01  0.653683D+01  0.673744D+00
      5   0.368229D+01  0.983372D+01  0.593145D+01 -0.444081D+01 -0.187983D+01
      6   0.108738D+02  0.313300D+01  0.757601D+01 -0.313701D+01 -0.633496D+00
                56            57            58            59            60 
      1   0.363299D+00 -0.169418D+01 -0.316750D+00 -0.362098D+01  0.690098D+00
      2   0.882203D-01  0.118687D+01 -0.570287D-01  0.227999D+00  0.211570D+00
      3  -0.451520D+00  0.507307D+00  0.373779D+00  0.339298D+01 -0.901668D+00
      4   0.234518D+01 -0.272954D+00  0.365948D+01  0.436564D+00 -0.125976D+01
      5  -0.298564D+00  0.661606D+01 -0.118457D+00 -0.148555D+01  0.901861D+00
      6   0.756189D+00 -0.156238D+00  0.133211D+00 -0.763814D+00  0.687888D+01
                61            62            63            64            65 
      1   0.483681D+00  0.125135D+00 -0.175241D+02  0.499387D+02  0.453410D+01
      2   0.224493D+01  0.198857D+00 -0.173130D+02 -0.242972D+02  0.498133D+00
      3  -0.272861D+01 -0.323993D+00  0.348372D+02 -0.256415D+02 -0.503224D+01
      4  -0.916960D+00 -0.189620D+01  0.636667D+00  0.230271D+02  0.113943D+02
      5   0.589003D+01  0.726785D-01 -0.136024D+02 -0.679085D+01 -0.875123D+00
      6   0.460859D+00  0.462542D+01 -0.199287D+01 -0.442295D+01 -0.668645D+00
                66            67            68            69            70 
      1  -0.794040D+01 -0.217747D+01  0.294339D+01  0.528687D+00 -0.107701D+02
      2   0.408471D+01  0.293906D+01  0.880647D+00 -0.111573D+01  0.596842D+01
      3   0.385570D+01 -0.761599D+00 -0.382404D+01  0.587043D+00  0.480167D+01
      4  -0.368673D+01  0.704033D+01  0.264785D+01 -0.211409D+01 -0.548562D+01
      5   0.929034D+01 -0.290797D+00 -0.192967D+01 -0.444474D+00  0.896468D+01
      6   0.445862D+01 -0.640332D+00 -0.103147D+01  0.109486D+01  0.349123D+01
                71            72            73            74            75 
      1  -0.166631D+00  0.481422D+01  0.394119D+01  0.144458D+01  0.207006D+01
      2  -0.154390D+01 -0.510207D+01 -0.385067D+01 -0.167147D+01 -0.108205D+01
      3   0.171054D+01  0.287854D+00 -0.905169D-01  0.226891D+00 -0.988010D+00
      4  -0.429135D+01  0.283617D+01  0.203523D+01  0.233954D+00  0.133098D+01
      5   0.112077D+01 -0.383432D+01  0.148197D+01  0.263770D+00  0.496584D+01
      6   0.182019D+01 -0.917352D+00  0.978570D+00 -0.410140D+00  0.558892D+00
                76            77            78            79            80 
      1  -0.335404D+00 -0.377446D+01 -0.128592D+01  0.324602D+01 -0.266263D+01
      2   0.155068D+00  0.220281D+01  0.249541D+01 -0.301247D+01  0.269359D+01
      3   0.180336D+00  0.157165D+01 -0.120948D+01 -0.233549D+00 -0.309624D-01
      4   0.453043D+00  0.198674D+00  0.230256D+01  0.380092D+01  0.536563D+01
      5  -0.945018D+00  0.178299D+01 -0.670631D+00  0.776869D+01  0.242910D+01
      6   0.325256D+00  0.881961D+00  0.499755D+01  0.209231D+01  0.718291D+01
                81            82            83            84            85 
      1  -0.121299D+02 -0.831402D+00  0.743549D+01 -0.188136D+01  0.688472D+01
      2  -0.134679D+02  0.305748D+01 -0.107308D+02  0.190655D+01 -0.669782D+01
      3   0.255978D+02 -0.222608D+01  0.329533D+01 -0.251832D-01 -0.186897D+00
      4   0.167844D+01 -0.185713D+01 -0.350027D+00 -0.120982D+01  0.469137D+01
      5   0.240935D+02 -0.130232D+01  0.436405D+00 -0.510149D+00  0.102174D+01
      6   0.189152D+02 -0.153207D+01  0.804932D+00 -0.265843D+01  0.384097D+00
                86            87            88            89            90 
      1  -0.230827D+02  0.323781D+01 -0.252444D+01  0.403208D+01 -0.468074D+01
      2   0.387470D+02 -0.527831D+01  0.134388D+01 -0.606350D+01  0.304595D+01
      3  -0.156643D+02  0.204050D+01  0.118056D+01  0.203142D+01  0.163479D+01
      4   0.142608D+02 -0.183417D+01 -0.222086D+01 -0.328412D+01  0.109462D+01
      5  -0.342443D+01  0.357020D+01  0.964081D+00  0.206379D+01  0.464457D+00
      6  -0.383358D+01  0.708620D+01 -0.115503D+01  0.702141D+01 -0.238548D+01
                91            92            93            94            95 
      1   0.509140D+01 -0.227328D+01  0.311960D+01 -0.251532D+01 -0.158876D+01
      2  -0.305925D+01  0.474107D+00 -0.264449D+01  0.107850D+01  0.185601D+01
      3  -0.203215D+01  0.179917D+01 -0.475106D+00  0.143682D+01 -0.267253D+00
      4  -0.641831D+01  0.517420D+01 -0.410435D+01  0.373215D+01 -0.190933D+01
      5   0.633213D+01 -0.238990D+01  0.893896D+01 -0.109768D+01  0.192758D+01
      6  -0.352534D+01  0.210520D+01 -0.594785D+01  0.199289D+01 -0.877770D+00
                96            97            98            99           100 
      1  -0.279878D+00  0.664663D+01  0.601049D+00  0.142360D+01  0.137457D+02
      2  -0.585003D+00 -0.649312D+01 -0.967687D+00 -0.867256D+01 -0.372714D+01
      3   0.864882D+00 -0.153505D+00  0.366639D+00  0.724896D+01 -0.100186D+02
      4   0.259184D+01 -0.731609D+01  0.630071D+01 -0.726925D+01 -0.182888D+02
      5  -0.102665D+01  0.106144D+02 -0.431873D+01  0.178111D+02 -0.941292D+01
      6   0.348394D+01 -0.734739D+01  0.472459D+01 -0.145115D+02  0.732565D+01
               101           102           103           104           105 
      1  -0.570088D+01 -0.467488D+01 -0.636830D+01  0.611908D+00  0.152085D+01
      2  -0.101234D+01  0.908651D+00  0.147384D+00  0.443640D+01  0.108896D+01
      3   0.671321D+01  0.376623D+01  0.622091D+01 -0.504831D+01 -0.260981D+01
      4   0.147042D+02  0.742989D+01  0.128911D+02 -0.913190D+01 -0.532559D+01
      5   0.561608D+01  0.893837D+01  0.387798D+01 -0.425029D+01 -0.315359D+01
      6  -0.529209D+01 -0.640715D+01 -0.509559D+01  0.419183D+01  0.483072D+01
               106           107           108           109           110 
      1  -0.747199D+01  0.174903D+01  0.273115D+01 -0.975740D+01  0.761457D+00
      2   0.322257D+01  0.945684D+00 -0.263730D+01  0.801613D+01 -0.898950D+00
      3   0.424941D+01 -0.269472D+01 -0.938490D-01  0.174127D+01  0.137493D+00
      4   0.114923D+02 -0.879327D+01 -0.853411D+01 -0.728743D+01 -0.331377D+01
      5   0.101017D+02 -0.601697D+01 -0.914604D+01  0.121414D+01 -0.201485D+00
      6  -0.797366D+01  0.692922D+01  0.797436D+01  0.919456D+00  0.255029D+00
               111           112           113           114           115 
      1  -0.348632D+00  0.391234D+01 -0.989792D+01  0.368129D+00  0.601712D+00
      2   0.859406D-02 -0.233853D+01  0.148165D+02 -0.284742D+00 -0.443508D+00
      3   0.340038D+00 -0.157381D+01 -0.491854D+01 -0.833865D-01 -0.158203D+00
      4   0.645727D+00  0.603490D+01  0.710141D+01 -0.624411D+00  0.752486D+00
      5  -0.331503D+01 -0.864782D+00  0.143395D-01  0.174693D+01  0.974200D+00
      6   0.600721D+00 -0.319892D+00 -0.122020D+01  0.282379D+01  0.734795D+00
               116           117 
      1   0.710341D+00 -0.243732D+01
      2  -0.356283D+00  0.136918D+01
      3  -0.354058D+00  0.106815D+01
      4   0.242502D+00  0.939283D+00
      5   0.124549D+01  0.184655D+00
      6   0.350181D+01 -0.515592D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:27:41 2021, MaxMem=  5368709120 cpu:            2556.1 elap:             320.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30695 -19.25131 -14.47423 -10.42443 -10.35975
 Alpha  occ. eigenvalues --  -10.30512  -1.20646  -1.12335  -1.02675  -0.86622
 Alpha  occ. eigenvalues --   -0.76356  -0.69057  -0.64453  -0.60009  -0.56982
 Alpha  occ. eigenvalues --   -0.54519  -0.52665  -0.50843  -0.49351  -0.45966
 Alpha  occ. eigenvalues --   -0.44982  -0.39969  -0.39035  -0.34599
 Alpha virt. eigenvalues --    0.02210   0.04263   0.04647   0.05476   0.07208
 Alpha virt. eigenvalues --    0.07344   0.07867   0.08514   0.11006   0.11108
 Alpha virt. eigenvalues --    0.12133   0.13830   0.14401   0.14989   0.15468
 Alpha virt. eigenvalues --    0.15781   0.16199   0.16643   0.17835   0.19265
 Alpha virt. eigenvalues --    0.19585   0.20094   0.20550   0.21825   0.25290
 Alpha virt. eigenvalues --    0.25655   0.26032   0.26791   0.27649   0.28312
 Alpha virt. eigenvalues --    0.28844   0.30038   0.31240   0.32341   0.32907
 Alpha virt. eigenvalues --    0.33062   0.35242   0.36958   0.37829   0.39033
 Alpha virt. eigenvalues --    0.39478   0.39899   0.40936   0.41665   0.42508
 Alpha virt. eigenvalues --    0.42728   0.43871   0.45638   0.47014   0.48037
 Alpha virt. eigenvalues --    0.48838   0.50226   0.51391   0.51862   0.53484
 Alpha virt. eigenvalues --    0.53893   0.55055   0.56092   0.57854   0.58394
 Alpha virt. eigenvalues --    0.60386   0.61472   0.63593   0.64412   0.64881
 Alpha virt. eigenvalues --    0.65343   0.66563   0.67563   0.67912   0.69927
 Alpha virt. eigenvalues --    0.71779   0.73415   0.74122   0.76634   0.77435
 Alpha virt. eigenvalues --    0.78317   0.79480   0.80807   0.83670   0.85388
 Alpha virt. eigenvalues --    0.86893   0.87534   0.89685   0.92632   0.93005
 Alpha virt. eigenvalues --    0.95831   0.97456   1.00314   1.02084   1.04355
 Alpha virt. eigenvalues --    1.04486   1.06227   1.08117   1.11287   1.13823
 Alpha virt. eigenvalues --    1.14794   1.16805   1.18402   1.20397   1.22567
 Alpha virt. eigenvalues --    1.23734   1.28008   1.29273   1.33297   1.35092
 Alpha virt. eigenvalues --    1.37472   1.40114   1.41710   1.46508   1.50210
 Alpha virt. eigenvalues --    1.52796   1.54605   1.58968   1.61457   1.63094
 Alpha virt. eigenvalues --    1.64474   1.68983   1.69711   1.73098   1.73939
 Alpha virt. eigenvalues --    1.76229   1.78401   1.81589   1.85473   1.86022
 Alpha virt. eigenvalues --    1.89930   1.90835   1.93900   1.94682   1.99137
 Alpha virt. eigenvalues --    2.01458   2.02630   2.05597   2.08521   2.10852
 Alpha virt. eigenvalues --    2.12267   2.15486   2.18721   2.19335   2.22266
 Alpha virt. eigenvalues --    2.24187   2.26378   2.29306   2.31576   2.35705
 Alpha virt. eigenvalues --    2.38190   2.41254   2.43284   2.50728   2.53617
 Alpha virt. eigenvalues --    2.54524   2.60296   2.61895   2.63300   2.68317
 Alpha virt. eigenvalues --    2.70685   2.73611   2.82342   2.85141   2.86662
 Alpha virt. eigenvalues --    2.92946   2.96390   3.09718   3.10586   3.20224
 Alpha virt. eigenvalues --    3.34661   3.40503   3.44291   3.46226   3.48700
 Alpha virt. eigenvalues --    3.52321   3.53426   3.56061   3.65471   3.78952
 Alpha virt. eigenvalues --    3.88509   4.04585
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.267160   0.556345  -0.212370   0.009397  -0.143259  -0.009327
     2  C    0.556345   5.665241  -0.495453  -0.047129   0.146521   0.173230
     3  C   -0.212370  -0.495453   5.890189   0.377974   0.010474  -0.137179
     4  O    0.009397  -0.047129   0.377974   8.256620  -0.011007  -0.094833
     5  N   -0.143259   0.146521   0.010474  -0.011007   6.678623  -0.078670
     6  O   -0.009327   0.173230  -0.137179  -0.094833  -0.078670   8.311269
     7  H   -0.053148   0.042405  -0.075972   0.005928  -0.079197   0.009227
     8  H    0.241124   0.185766  -0.059261   0.010724   0.000457   0.004905
     9  H    0.363309  -0.142243   0.016672   0.011286  -0.074150  -0.004103
    10  H    0.183099   0.078953  -0.050648  -0.014029   0.000193   0.002291
    11  H   -0.076734  -0.111123   0.049515   0.000514   0.422985  -0.006518
    12  H    0.011890   0.053904  -0.026093   0.000818   0.325461   0.003409
    13  H    0.001940  -0.117118  -0.034639   0.018774   0.073246   0.263585
               7          8          9         10         11         12
     1  C   -0.053148   0.241124   0.363309   0.183099  -0.076734   0.011890
     2  C    0.042405   0.185766  -0.142243   0.078953  -0.111123   0.053904
     3  C   -0.075972  -0.059261   0.016672  -0.050648   0.049515  -0.026093
     4  O    0.005928   0.010724   0.011286  -0.014029   0.000514   0.000818
     5  N   -0.079197   0.000457  -0.074150   0.000193   0.422985   0.325461
     6  O    0.009227   0.004905  -0.004103   0.002291  -0.006518   0.003409
     7  H    1.419825  -0.100069   0.084751  -0.032830   0.025067  -0.083492
     8  H   -0.100069   1.426441  -0.283044  -0.256337  -0.017097   0.008329
     9  H    0.084751  -0.283044   1.350150  -0.193966   0.011492  -0.005339
    10  H   -0.032830  -0.256337  -0.193966   1.454043   0.002414  -0.002765
    11  H    0.025067  -0.017097   0.011492   0.002414   0.804669  -0.131966
    12  H   -0.083492   0.008329  -0.005339  -0.002765  -0.131966   0.825165
    13  H    0.000156  -0.002057   0.000376   0.000828  -0.003688  -0.005329
              13
     1  C    0.001940
     2  C   -0.117118
     3  C   -0.034639
     4  O    0.018774
     5  N    0.073246
     6  O    0.263585
     7  H    0.000156
     8  H   -0.002057
     9  H    0.000376
    10  H    0.000828
    11  H   -0.003688
    12  H   -0.005329
    13  H    0.615512
 Mulliken charges:
               1
     1  C    0.860575
     2  C    0.010701
     3  C    0.746791
     4  O   -0.525036
     5  N   -0.271677
     6  O   -0.437285
     7  H   -0.162650
     8  H   -0.159881
     9  H   -0.135190
    10  H   -0.171245
    11  H    0.030471
    12  H    0.026008
    13  H    0.188416
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.394260
     2  C   -0.151949
     3  C    0.746791
     4  O   -0.525036
     5  N   -0.215197
     6  O   -0.248869
 Electronic spatial extent (au):  <R**2>=            579.3851
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.0373    Y=              2.0321    Z=              0.3384  Tot=              5.4423
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -39.7454   YY=            -37.8208   ZZ=            -33.8459
   XY=              0.4682   XZ=              0.1736   YZ=              0.2367
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.6080   YY=             -0.6834   ZZ=              3.2915
   XY=              0.4682   XZ=              0.1736   YZ=              0.2367
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.4451  YYY=              8.8504  ZZZ=              0.0510  XYY=             -6.6722
  XXY=              8.5273  XXZ=              1.7631  XZZ=             -1.4042  YZZ=              2.8146
  YYZ=             -0.2348  XYZ=              0.2638
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -392.6500 YYYY=           -275.8585 ZZZZ=            -58.2818 XXXY=            -13.1292
 XXXZ=             -2.9009 YYYX=              0.4898 YYYZ=             -1.4623 ZZZX=              0.3459
 ZZZY=             -0.9708 XXYY=           -110.7735 XXZZ=            -70.3688 YYZZ=            -55.1824
 XXYZ=              1.7549 YYXZ=             -2.4069 ZZXY=             -5.6462
 N-N= 2.501873150250D+02 E-N=-1.257855877913D+03  KE= 3.217243455893D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:27:41 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.96943793D+00 8.18549406D-01 1.30345559D-01
 Polarizability= 5.46563633D+01-1.15538800D+00 5.65123544D+01
                -5.26764103D-01-6.03702994D-01 4.12617202D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1998    0.2006       -0.5503   -0.5500
 2     -0.1998   -0.2006        0.2748    0.2747        0.8346    0.8343
 3      0.5503    0.5500        7.4671    7.4658       -0.2749   -0.2747
 4     -0.2748   -0.2747        0.0000    0.0000        0.5500    0.5500
 5     -8.3017   -8.3002       -0.5500   -0.5500        0.2005    0.2006
 6      0.2749    0.2747       -0.2005   -0.2006        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6018   -0.6018       -1.6501   -1.6501
 2     -0.8240   -0.8240        0.0000    0.0000       -1.6501   -1.6501
 3     -0.8240   -0.8240       -0.6018   -0.6018        0.0000    0.0000
 4     -0.6018   -0.6018        0.8240    0.8240        2.5030    2.5030
 5      1.6501    1.6501       22.3975   22.3975       -0.8240   -0.8240
 6    -24.9005  -24.9005       -1.6501   -1.6501        0.6018    0.6018
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0867    0.0000       -0.7023   -0.8025        2.1789    2.2002
 2      0.6439    0.8025       -1.1169   -1.0986       -3.5576   -3.3374
 3     -2.1501   -2.2002      -29.8157  -29.8633        0.9772    1.0986
 4      1.2679    1.0986        0.1808    0.0000       -2.2228   -2.2002
 5     33.1971   33.2007        2.1448    2.2002       -0.8873   -0.8025
 6     -1.0074   -1.0986        0.7801    0.8025       -0.0188    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0032    0.0000        8.7744    8.7955        1.0772    1.0482
 2     -8.8254   -8.7955       -8.1325   -8.1158        4.6456    4.6795
 3     -1.0448   -1.0482        1.4815    1.4851        8.1210    8.1158
 4      8.0918    8.1158        0.1508    0.0000       -0.9818   -1.0482
 5     -6.0203   -6.1646        1.2675    1.0482        8.5641    8.7955
 6     -8.1806   -8.1158       -8.7413   -8.7955       -0.0586    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.5489    9.6484        4.7240    4.6871        0.9355    0.9505
 2     20.0387   20.0764        8.5244    8.5231        1.0329    0.9505
 3     20.0696   20.0764        4.6482    4.6871       -2.2531   -2.3583
 4     -3.7876   -3.8359      -10.3750  -10.4280        0.5240    0.4747
 5     -3.2943   -3.3088        6.8159    7.0350       10.4054   10.4280
 6     -7.3533   -7.5098        3.6888    3.3088        3.4172    3.8359
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9766   -0.0008    0.0003    0.0007    2.6910    4.5146
 Low frequencies ---   57.7836  231.1366  274.9887
 Diagonal vibrational polarizability:
       20.2455547      13.5041867       8.5723095
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7832               231.1366               274.9887
 Red. masses --      3.6767                 1.1212                 1.4513
 Frc consts  --      0.0072                 0.0353                 0.0647
 IR Inten    --      1.0398                 0.4118                18.0214
 RamAct Fr= 1--      0.4107                 0.1570                 0.3692
  Dep-P Fr= 1--      0.7431                 0.6930                 0.7487
  Dep-U Fr= 1--      0.8526                 0.8186                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0584                 0.0214                 0.0527
 AlphaG Fr= 1--     -0.0005                -0.0015                 0.0004
 Gamma2 Fr= 1--      0.2368                 0.0934                 0.0745
 Delta2 Fr= 1--      0.1687                 0.0292                -0.0729
 Raman1 Fr= 1--       1.643                  0.628                  1.477
 ROA1   Fr= 1--      28.134                  9.900                  4.823
 CID1   Fr= 1--      17.128                 15.764                  3.266
 Raman2 Fr= 1--       0.700                  0.257                  0.632
 ROA2   Fr= 1--       4.334                  2.008                  2.373
 CID2   Fr= 1--       6.189                  7.810                  3.753
 Raman3 Fr= 1--       1.401                  0.514                  1.265
 ROA3   Fr= 1--      28.134                  9.900                  4.823
 CID3   Fr= 1--      20.088                 19.256                  3.814
 RC180  Fr= 1--       0.705                  0.637                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.20     0.05  -0.00  -0.01     0.10  -0.02  -0.02
     2   6     0.00   0.03  -0.02    -0.00   0.00   0.04    -0.01   0.03   0.03
     3   6    -0.01   0.01  -0.03    -0.01   0.01   0.02    -0.03   0.02   0.02
     4   8    -0.05  -0.01  -0.23    -0.02  -0.00  -0.02    -0.09  -0.01   0.01
     5   7     0.00  -0.01  -0.17     0.00   0.00   0.04    -0.02   0.03   0.06
     6   8     0.06   0.04   0.24    -0.01  -0.00  -0.04     0.03  -0.02  -0.07
     7   1     0.04   0.21   0.00    -0.03  -0.01   0.03    -0.03   0.03   0.03
     8   1    -0.01   0.01   0.21    -0.09   0.29  -0.47     0.13  -0.26   0.10
     9   1    -0.04  -0.26   0.19     0.55  -0.29  -0.02    -0.03   0.13  -0.01
    10   1    -0.03  -0.02   0.35    -0.27  -0.02   0.42     0.31   0.03  -0.19
    11   1     0.30  -0.06  -0.30     0.13   0.03  -0.02     0.50   0.13  -0.18
    12   1    -0.25  -0.09  -0.39    -0.11  -0.07  -0.04    -0.48  -0.27  -0.27
    13   1     0.08   0.06   0.26     0.01   0.01   0.04     0.13   0.06   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    279.6225               354.5659               410.0805
 Red. masses --      1.9824                 3.4332                 2.6035
 Frc consts  --      0.0913                 0.2543                 0.2580
 IR Inten    --     11.5845                11.4006                 4.4021
 RamAct Fr= 1--      0.4496                 1.1466                 0.4130
  Dep-P Fr= 1--      0.4996                 0.2011                 0.5313
  Dep-U Fr= 1--      0.6663                 0.3348                 0.6939
 Alpha2 Fr= 1--      0.0022                 0.0155                 0.0017
 Beta2  Fr= 1--      0.0499                 0.0640                 0.0478
 AlphaG Fr= 1--      0.0069                 0.0154                 0.0026
 Gamma2 Fr= 1--      0.0007                -0.3067                 0.1276
 Delta2 Fr= 1--     -0.0335                -0.1468                -0.0249
 Raman1 Fr= 1--       1.799                  4.586                  1.652
 ROA1   Fr= 1--      -1.006                -34.146                 11.452
 CID1   Fr= 1--      -0.559                 -7.445                  6.933
 Raman2 Fr= 1--       0.599                  0.768                  0.573
 ROA2   Fr= 1--       0.285                 -6.187                  3.262
 CID2   Fr= 1--       0.476                 -8.058                  5.692
 Raman3 Fr= 1--       1.198                  1.536                  1.146
 ROA3   Fr= 1--      -1.006                -34.146                 11.452
 CID3   Fr= 1--      -0.839                -22.236                  9.991
 RC180  Fr= 1--       0.333                 -0.330                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.04  -0.00    -0.10  -0.01   0.01     0.01   0.19  -0.02
     2   6    -0.01   0.07   0.02     0.02   0.01  -0.14     0.04   0.01   0.19
     3   6    -0.03   0.03   0.01     0.04   0.04  -0.10     0.04  -0.01   0.10
     4   8    -0.14  -0.04  -0.04     0.01   0.03   0.08     0.03  -0.01  -0.07
     5   7    -0.08   0.03  -0.03    -0.23  -0.03   0.09    -0.13  -0.14  -0.09
     6   8     0.07  -0.03   0.03     0.26  -0.01   0.00     0.04  -0.03  -0.02
     7   1    -0.02   0.07   0.02     0.17  -0.06  -0.14    -0.03   0.06   0.19
     8   1     0.15  -0.22  -0.06    -0.09   0.22   0.05    -0.02   0.26  -0.09
     9   1     0.24  -0.05  -0.00    -0.15  -0.19   0.00     0.08   0.52   0.00
    10   1     0.34   0.05   0.03    -0.26  -0.04   0.16    -0.16   0.03  -0.29
    11   1    -0.57  -0.11   0.19    -0.20   0.06   0.07    -0.14  -0.49  -0.08
    12   1     0.33   0.27   0.27    -0.37  -0.38   0.13    -0.20  -0.10  -0.19
    13   1     0.10   0.00  -0.15     0.43   0.14  -0.02     0.06  -0.01  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    530.6052               568.8183               739.1148
 Red. masses --      5.7938                 3.8666                 5.1151
 Frc consts  --      0.9611                 0.7371                 1.6464
 IR Inten    --      1.3248                 4.3907                 8.5197
 RamAct Fr= 1--      3.2196                 3.2532                 3.3788
  Dep-P Fr= 1--      0.3745                 0.3173                 0.0628
  Dep-U Fr= 1--      0.5449                 0.4818                 0.1182
 Alpha2 Fr= 1--      0.0261                 0.0317                 0.0647
 Beta2  Fr= 1--      0.2924                 0.2612                 0.0666
 AlphaG Fr= 1--     -0.0276                 0.0099                 0.0267
 Gamma2 Fr= 1--      0.1026                -0.2266                -0.4049
 Delta2 Fr= 1--      0.0833                -0.0227                 0.0269
 Raman1 Fr= 1--      12.878                 13.013                 13.515
 ROA1   Fr= 1--      12.519                -22.485                -38.008
 CID1   Fr= 1--       0.972                 -1.728                 -2.812
 Raman2 Fr= 1--       3.509                  3.135                  0.799
 ROA2   Fr= 1--       1.796                 -5.257                 -9.933
 CID2   Fr= 1--       0.512                 -1.677                -12.431
 Raman3 Fr= 1--       7.017                  6.269                  1.598
 ROA3   Fr= 1--      12.519                -22.485                -38.008
 CID3   Fr= 1--       1.784                 -3.587                -23.783
 RC180  Fr= 1--       0.090                 -0.036                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.02    -0.14  -0.17  -0.05    -0.05  -0.07  -0.05
     2   6    -0.18   0.14  -0.00    -0.19  -0.06   0.13     0.06   0.01  -0.08
     3   6     0.02  -0.17   0.06    -0.05   0.10   0.17     0.28   0.03   0.36
     4   8     0.34  -0.02  -0.08     0.03   0.16  -0.09    -0.05  -0.21  -0.08
     5   7    -0.20   0.24   0.00     0.09  -0.02  -0.01    -0.08   0.08  -0.01
     6   8    -0.05  -0.21   0.02     0.19  -0.04  -0.08    -0.01   0.18  -0.11
     7   1    -0.28   0.23  -0.01    -0.42  -0.10   0.12    -0.40  -0.06  -0.11
     8   1    -0.01  -0.29  -0.09    -0.17  -0.28  -0.12     0.04   0.12   0.24
     9   1     0.14  -0.10   0.01    -0.07  -0.10  -0.05    -0.34  -0.30  -0.06
    10   1     0.31   0.18   0.14    -0.07  -0.15  -0.09    -0.14  -0.08   0.08
    11   1    -0.12   0.34  -0.04     0.10   0.00  -0.01    -0.11   0.21   0.00
    12   1    -0.27   0.13  -0.00     0.25   0.37  -0.05    -0.07  -0.08   0.09
    13   1     0.03  -0.13   0.09     0.39   0.15  -0.11    -0.27  -0.07   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    804.7202               846.5321               880.2916
 Red. masses --      3.3143                 1.5049                 1.2290
 Frc consts  --      1.2645                 0.6354                 0.5611
 IR Inten    --      6.5787               111.7083                72.3814
 RamAct Fr= 1--      9.1973                 1.0099                 1.9238
  Dep-P Fr= 1--      0.0566                 0.4280                 0.4279
  Dep-U Fr= 1--      0.1071                 0.5994                 0.5993
 Alpha2 Fr= 1--      0.1789                 0.0067                 0.0129
 Beta2  Fr= 1--      0.1641                 0.1009                 0.1922
 AlphaG Fr= 1--     -0.0671                -0.0368                 0.0526
 Gamma2 Fr= 1--     -0.1138                -0.4144                 0.2058
 Delta2 Fr= 1--      0.0938                -0.1855                 0.0905
 Raman1 Fr= 1--      36.789                  4.040                  7.695
 ROA1   Fr= 1--      -7.921                -45.714                 22.651
 CID1   Fr= 1--      -0.215                -11.316                  2.944
 Raman2 Fr= 1--       1.970                  1.211                  2.306
 ROA2   Fr= 1--      -3.480                 -8.461                  4.215
 CID2   Fr= 1--      -1.767                 -6.988                  1.828
 Raman3 Fr= 1--       3.939                  2.421                  4.612
 ROA3   Fr= 1--      -7.921                -45.714                 22.651
 CID3   Fr= 1--      -2.011                -18.879                  4.911
 RC180  Fr= 1--      -0.786                  0.199                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.08  -0.00     0.03   0.07   0.02    -0.02  -0.05  -0.00
     2   6     0.11  -0.01  -0.16    -0.06   0.03  -0.04     0.04  -0.02   0.04
     3   6    -0.13   0.05   0.21     0.01  -0.00  -0.01    -0.01  -0.00  -0.02
     4   8    -0.01   0.15  -0.06     0.01  -0.01   0.01    -0.00   0.01   0.02
     5   7     0.05  -0.05  -0.01    -0.05  -0.15   0.00     0.02   0.08  -0.05
     6   8    -0.07  -0.18  -0.01     0.00   0.01  -0.04    -0.01  -0.01  -0.04
     7   1    -0.14  -0.14  -0.18    -0.10   0.03  -0.04     0.06   0.04   0.04
     8   1     0.21   0.37   0.36     0.04   0.06   0.05    -0.03  -0.01  -0.06
     9   1    -0.26  -0.20  -0.02     0.01   0.01   0.02     0.02   0.07   0.00
    10   1    -0.03   0.08   0.18     0.08   0.11   0.08    -0.10  -0.12  -0.11
    11   1    -0.17  -0.02   0.09     0.26   0.39  -0.11    -0.30  -0.21   0.09
    12   1     0.02  -0.40   0.16     0.34   0.41   0.08    -0.03  -0.14   0.04
    13   1     0.21   0.08   0.06     0.06   0.04   0.62     0.18   0.14   0.84
                     13                     14                     15
                      A                      A                      A
 Frequencies --    939.2088              1020.8481              1081.8120
 Red. masses --      1.4698                 1.3096                 2.3447
 Frc consts  --      0.7639                 0.8041                 1.6168
 IR Inten    --     36.1213                 0.6787                44.5061
 RamAct Fr= 1--      2.6039                 1.3753                 2.5254
  Dep-P Fr= 1--      0.3102                 0.3331                 0.7367
  Dep-U Fr= 1--      0.4735                 0.4997                 0.8484
 Alpha2 Fr= 1--      0.0259                 0.0127                 0.0006
 Beta2  Fr= 1--      0.2055                 0.1146                 0.3571
 AlphaG Fr= 1--      0.0348                -0.0112                -0.0036
 Gamma2 Fr= 1--      0.6461                -0.3745                 0.4202
 Delta2 Fr= 1--      0.4633                -0.3450                 0.0969
 Raman1 Fr= 1--      10.415                  5.501                 10.102
 ROA1   Fr= 1--      76.851                -46.995                 43.439
 CID1   Fr= 1--       7.379                 -8.543                  4.300
 Raman2 Fr= 1--       2.466                  1.375                  4.285
 ROA2   Fr= 1--      11.800                 -6.229                  9.309
 CID2   Fr= 1--       4.785                 -4.532                  2.172
 Raman3 Fr= 1--       4.932                  2.749                  8.570
 ROA3   Fr= 1--      76.851                -46.995                 43.439
 CID3   Fr= 1--      15.582                -17.094                  5.069
 RC180  Fr= 1--      -0.053                 -0.001                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.12   0.01    -0.06  -0.01   0.07    -0.13  -0.05  -0.10
     2   6     0.10  -0.01   0.02    -0.01   0.04  -0.08     0.15   0.20   0.02
     3   6    -0.01   0.02   0.01     0.00   0.00   0.07     0.06   0.06   0.03
     4   8    -0.01   0.03  -0.01    -0.00  -0.00  -0.01    -0.02   0.03  -0.01
     5   7    -0.08   0.04  -0.01     0.04  -0.06  -0.01    -0.03  -0.06   0.04
     6   8    -0.02  -0.05   0.02    -0.00   0.01  -0.01    -0.05  -0.09   0.01
     7   1     0.19   0.17   0.03     0.14   0.44  -0.04     0.50   0.12   0.04
     8   1     0.04   0.30  -0.02    -0.19  -0.26  -0.32    -0.14  -0.37  -0.11
     9   1    -0.04   0.26   0.03     0.31   0.32   0.09    -0.06  -0.36  -0.12
    10   1    -0.38  -0.39  -0.30     0.08  -0.02  -0.20     0.16   0.13   0.08
    11   1     0.18   0.41  -0.12    -0.09   0.26   0.05     0.16  -0.33  -0.03
    12   1     0.10   0.32   0.02     0.06  -0.42   0.21     0.03   0.30  -0.11
    13   1    -0.02  -0.04  -0.12     0.01   0.02  -0.06    -0.05  -0.08   0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1147.1333              1212.9292              1234.4147
 Red. masses --      2.3237                 2.3184                 1.8866
 Frc consts  --      1.8016                 2.0096                 1.6938
 IR Inten    --     10.8472                19.4995                 9.6585
 RamAct Fr= 1--      1.6148                 4.5570                 4.0282
  Dep-P Fr= 1--      0.6209                 0.4212                 0.4069
  Dep-U Fr= 1--      0.7661                 0.5927                 0.5785
 Alpha2 Fr= 1--      0.0038                 0.0312                 0.0291
 Beta2  Fr= 1--      0.2062                 0.4502                 0.3884
 AlphaG Fr= 1--     -0.0064                 0.0122                -0.0094
 Gamma2 Fr= 1--      0.3313                -1.4468                 1.4306
 Delta2 Fr= 1--     -0.3058                -0.1521                -0.2355
 Raman1 Fr= 1--       6.459                 18.228                 16.113
 ROA1   Fr= 1--      22.016               -143.756                129.799
 CID1   Fr= 1--       3.408                 -7.887                  8.056
 Raman2 Fr= 1--       2.474                  5.402                  4.660
 ROA2   Fr= 1--      10.397                -33.506                 36.217
 CID2   Fr= 1--       4.202                 -6.202                  7.771
 Raman3 Fr= 1--       4.948                 10.804                  9.321
 ROA3   Fr= 1--      22.016               -143.756                129.799
 CID3   Fr= 1--       4.449                -13.306                 13.926
 RC180  Fr= 1--       0.532                  0.185                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.09  -0.08     0.01   0.00  -0.02    -0.06   0.04  -0.09
     2   6    -0.06   0.24   0.05    -0.04  -0.01   0.07     0.14  -0.07   0.15
     3   6    -0.07  -0.07  -0.05     0.20   0.15  -0.12    -0.08  -0.05  -0.02
     4   8     0.04  -0.04   0.01    -0.06   0.06   0.01     0.01  -0.00   0.01
     5   7     0.07  -0.09   0.03     0.02  -0.02  -0.02    -0.04   0.00  -0.08
     6   8    -0.00   0.06   0.01    -0.01  -0.13   0.03     0.01   0.04   0.00
     7   1    -0.34   0.45   0.05    -0.51   0.22   0.05    -0.06   0.21   0.16
     8   1     0.14   0.31   0.16     0.02   0.01   0.05     0.02  -0.20   0.14
     9   1    -0.35  -0.11  -0.08    -0.08  -0.04  -0.02    -0.05  -0.33  -0.10
    10   1    -0.29  -0.23  -0.02    -0.06  -0.01   0.04     0.15   0.21   0.20
    11   1    -0.05  -0.10   0.09    -0.11   0.23   0.03    -0.01   0.61  -0.08
    12   1     0.04  -0.28   0.10    -0.02  -0.34   0.12     0.12  -0.28   0.23
    13   1     0.09   0.12  -0.07    -0.40  -0.45   0.12     0.12   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1315.1035              1391.3533              1410.0174
 Red. masses --      1.3934                 1.2704                 1.3168
 Frc consts  --      1.4199                 1.4490                 1.5425
 IR Inten    --     10.3296                 6.8389                91.6185
 RamAct Fr= 1--      3.6942                 4.2673                 2.3374
  Dep-P Fr= 1--      0.6591                 0.7378                 0.3845
  Dep-U Fr= 1--      0.7945                 0.8491                 0.5554
 Alpha2 Fr= 1--      0.0060                 0.0009                 0.0183
 Beta2  Fr= 1--      0.4892                 0.6039                 0.2164
 AlphaG Fr= 1--      0.0041                -0.0048                -0.0096
 Gamma2 Fr= 1--     -0.1037                 1.2900                 0.7202
 Delta2 Fr= 1--     -0.0636                -0.7695                -0.0322
 Raman1 Fr= 1--      14.777                 17.069                  9.350
 ROA1   Fr= 1--     -11.989                 99.214                 68.109
 CID1   Fr= 1--      -0.811                  5.812                  7.285
 Raman2 Fr= 1--       5.870                  7.247                  2.596
 ROA2   Fr= 1--      -1.980                 37.116                 17.542
 CID2   Fr= 1--      -0.337                  5.121                  6.756
 Raman3 Fr= 1--      11.741                 14.494                  5.193
 ROA3   Fr= 1--     -11.989                 99.214                 68.109
 CID3   Fr= 1--      -1.021                  6.845                 13.116
 RC180  Fr= 1--       0.589                  0.698                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.07    -0.03   0.01  -0.01    -0.06  -0.10  -0.04
     2   6    -0.14  -0.08   0.01     0.06  -0.10  -0.05     0.02   0.03   0.01
     3   6     0.01   0.01   0.04    -0.02  -0.01  -0.01    -0.06  -0.04   0.01
     4   8    -0.00   0.01  -0.01    -0.00   0.01   0.00     0.00   0.03  -0.00
     5   7     0.02   0.01  -0.00    -0.01   0.01   0.07    -0.00   0.00  -0.01
     6   8     0.02   0.00  -0.01     0.00   0.01  -0.00     0.06   0.02  -0.01
     7   1     0.76   0.46   0.11    -0.38   0.75  -0.03     0.02  -0.12  -0.00
     8   1     0.12   0.10   0.16     0.03   0.08   0.10     0.03   0.44   0.18
     9   1    -0.16  -0.10  -0.07     0.13  -0.03  -0.01     0.21   0.38   0.01
    10   1    -0.08   0.03   0.16     0.13   0.08  -0.02     0.41   0.21   0.22
    11   1    -0.07   0.02   0.03     0.04  -0.31   0.04     0.00   0.00  -0.01
    12   1    -0.04  -0.03  -0.02    -0.06   0.29  -0.13    -0.00  -0.06   0.03
    13   1    -0.13  -0.14   0.06     0.03   0.03   0.00    -0.36  -0.37   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.6718              1491.3144              1500.7296
 Red. masses --      1.4639                 1.0487                 1.0544
 Frc consts  --      1.7261                 1.3741                 1.3992
 IR Inten    --    305.6757                 3.5444                10.8186
 RamAct Fr= 1--      2.2237                 3.6143                 3.1196
  Dep-P Fr= 1--      0.1112                 0.7499                 0.7240
  Dep-U Fr= 1--      0.2002                 0.8571                 0.8399
 Alpha2 Fr= 1--      0.0379                 0.0000                 0.0014
 Beta2  Fr= 1--      0.0742                 0.5163                 0.4367
 AlphaG Fr= 1--     -0.0201                -0.0002                 0.0008
 Gamma2 Fr= 1--     -0.0894                -0.8684                -0.1332
 Delta2 Fr= 1--      0.0084                 0.3292                -0.4044
 Raman1 Fr= 1--       8.895                 14.457                 12.478
 ROA1   Fr= 1--      -8.316                -72.833                -25.725
 CID1   Fr= 1--      -0.935                 -5.038                 -2.062
 Raman2 Fr= 1--       0.890                  6.196                  5.240
 ROA2   Fr= 1--      -2.213                -23.476                  0.039
 CID2   Fr= 1--      -2.486                 -3.789                  0.007
 Raman3 Fr= 1--       1.781                 12.391                 10.480
 ROA3   Fr= 1--      -8.316                -72.833                -25.725
 CID3   Fr= 1--      -4.671                 -5.878                 -2.455
 RC180  Fr= 1--      -0.600                  0.714                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.04    -0.03   0.02  -0.04     0.04  -0.01  -0.03
     2   6    -0.04  -0.01   0.02    -0.01   0.02  -0.01     0.03  -0.01  -0.02
     3   6     0.09   0.08  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.00
     4   8     0.01  -0.05   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
     5   7     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.01
     6   8    -0.09  -0.03   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.08  -0.00   0.03     0.00  -0.07  -0.02    -0.09   0.04  -0.02
     8   1     0.04   0.33   0.14     0.18  -0.28   0.62    -0.02  -0.39  -0.11
     9   1     0.10   0.31  -0.00     0.59   0.06  -0.01    -0.27   0.52   0.01
    10   1     0.27   0.17   0.24    -0.35  -0.13   0.01    -0.29   0.04   0.62
    11   1    -0.04   0.08   0.01    -0.01   0.01   0.01     0.01  -0.04   0.00
    12   1    -0.00  -0.01  -0.02    -0.01   0.00  -0.01    -0.00   0.05  -0.02
    13   1     0.50   0.53  -0.17     0.00   0.00  -0.00    -0.01  -0.01   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.4813              1838.8535              3034.2897
 Red. masses --      1.0914                 9.6535                 1.0479
 Frc consts  --      1.7708                19.2322                 5.6843
 IR Inten    --     35.0591               312.5112                 8.0170
 RamAct Fr= 1--      2.9826                13.7714               217.3149
  Dep-P Fr= 1--      0.6139                 0.3164                 0.0367
  Dep-U Fr= 1--      0.7608                 0.4807                 0.0707
 Alpha2 Fr= 1--      0.0074                 0.1344                 4.4308
 Beta2  Fr= 1--      0.3782                 1.1034                 2.5616
 AlphaG Fr= 1--     -0.0020                 0.1283                -0.0203
 Gamma2 Fr= 1--      0.0627                 0.7254                -0.0504
 Delta2 Fr= 1--     -0.0993                 0.1333                 0.1502
 Raman1 Fr= 1--      11.930                 55.085                869.260
 ROA1   Fr= 1--       2.838                 73.900                 -0.033
 CID1   Fr= 1--       0.238                  1.342                 -0.000
 Raman2 Fr= 1--       4.538                 13.241                 30.739
 ROA2   Fr= 1--       2.299                 16.342                 -2.411
 CID2   Fr= 1--       0.507                  1.234                 -0.078
 Raman3 Fr= 1--       9.076                 26.481                 61.478
 ROA3   Fr= 1--       2.838                 73.900                 -0.033
 CID3   Fr= 1--       0.313                  2.791                 -0.001
 RC180  Fr= 1--       0.522                 -0.039                 -0.859
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.02  -0.02  -0.04
     2   6    -0.03  -0.01  -0.00     0.03  -0.03  -0.00    -0.00  -0.00   0.03
     3   6     0.01   0.01  -0.00    -0.37   0.61  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00     0.23  -0.38   0.00    -0.00   0.00   0.00
     5   7    -0.05   0.05  -0.02     0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00  -0.00   0.00     0.06  -0.04  -0.01    -0.00  -0.00   0.00
     7   1     0.01   0.03   0.00    -0.03   0.03  -0.00     0.03   0.03  -0.41
     8   1     0.01   0.01   0.03    -0.02  -0.10  -0.04     0.43  -0.01  -0.15
     9   1     0.01   0.02  -0.00    -0.03  -0.00   0.01    -0.02  -0.05   0.72
    10   1    -0.01  -0.00   0.01    -0.07  -0.00   0.01    -0.13   0.27  -0.09
    11   1     0.51  -0.43  -0.24    -0.00   0.01   0.00     0.00  -0.00   0.01
    12   1     0.37  -0.24   0.54    -0.01  -0.03  -0.01    -0.00  -0.00   0.00
    13   1     0.02   0.02  -0.02    -0.38  -0.32   0.12     0.00   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3042.8332              3097.9958              3134.0153
 Red. masses --      1.0737                 1.1007                 1.0997
 Frc consts  --      5.8570                 6.2242                 6.3637
 IR Inten    --     18.0732                26.5169                 6.5114
 RamAct Fr= 1--     31.6429                59.7266                57.2017
  Dep-P Fr= 1--      0.7140                 0.4946                 0.5912
  Dep-U Fr= 1--      0.8331                 0.6619                 0.7430
 Alpha2 Fr= 1--      0.0197                 0.3024                 0.1692
 Beta2  Fr= 1--      4.3938                 6.5885                 7.0839
 AlphaG Fr= 1--     -0.0010                 0.1146                -0.2146
 Gamma2 Fr= 1--      0.3763                 3.8181                -4.7452
 Delta2 Fr= 1--     -0.1577                 2.5880                -1.2727
 Raman1 Fr= 1--     126.572                238.906                228.807
 ROA1   Fr= 1--      31.078                449.355               -496.260
 CID1   Fr= 1--       0.246                  1.881                 -2.169
 Raman2 Fr= 1--      52.726                 79.062                 85.007
 ROA2   Fr= 1--      10.293                 70.931               -103.702
 CID2   Fr= 1--       0.195                  0.897                 -1.220
 Raman3 Fr= 1--     105.451                158.124                170.015
 ROA3   Fr= 1--      31.078                449.355               -496.260
 CID3   Fr= 1--       0.295                  2.842                 -2.919
 RC180  Fr= 1--       0.666                  0.324                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00    -0.05  -0.01   0.07     0.06  -0.07   0.02
     2   6     0.00   0.01  -0.07    -0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1    -0.06  -0.06   0.88     0.01   0.01  -0.17    -0.00   0.00  -0.03
     8   1     0.32  -0.01  -0.11     0.71  -0.02  -0.22    -0.33   0.00   0.12
     9   1    -0.01  -0.01   0.22    -0.00   0.04  -0.62     0.01   0.00  -0.18
    10   1    -0.09   0.18  -0.06    -0.08   0.14  -0.03    -0.37   0.80  -0.24
    11   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3444.9924              3500.6117              3585.0116
 Red. masses --      1.0641                 1.0513                 1.0923
 Frc consts  --      7.4406                 7.5906                 8.2713
 IR Inten    --    266.6345                 0.5317                 9.9231
 RamAct Fr= 1--     74.3082                96.9604                59.1048
  Dep-P Fr= 1--      0.0913                 0.0833                 0.5517
  Dep-U Fr= 1--      0.1673                 0.1537                 0.7111
 Alpha2 Fr= 1--      1.3290                 1.7682                 0.2238
 Beta2  Fr= 1--      2.0720                 2.4844                 7.0047
 AlphaG Fr= 1--      0.1684                -0.2198                 0.1463
 Gamma2 Fr= 1--      0.1500                -1.6188                 0.9311
 Delta2 Fr= 1--      1.0723                 0.1393                -1.4128
 Raman1 Fr= 1--     297.233                387.842                236.419
 ROA1   Fr= 1--      48.716               -150.943                 44.181
 CID1   Fr= 1--       0.164                 -0.389                  0.187
 Raman2 Fr= 1--      24.864                 29.813                 84.056
 ROA2   Fr= 1--      -4.978                -39.965                 33.649
 CID2   Fr= 1--      -0.200                 -1.341                  0.400
 Raman3 Fr= 1--      49.728                 59.626                168.113
 ROA3   Fr= 1--      48.716               -150.943                 44.181
 CID3   Fr= 1--       0.980                 -2.532                  0.263
 RC180  Fr= 1--      -0.665                 -0.693                  0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.01  -0.00   0.00    -0.05   0.01  -0.03    -0.03   0.02   0.07
     6   8     0.04  -0.04  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     7   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00  -0.02
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.04  -0.00  -0.08     0.32   0.00   0.78    -0.22  -0.00  -0.46
    12   1    -0.05   0.02   0.05     0.33  -0.19  -0.36     0.58  -0.30  -0.55
    13   1    -0.67   0.73   0.02    -0.08   0.09   0.00    -0.01   0.02   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   369.46428 525.57134 834.82501
           X            0.99801   0.06280   0.00550
           Y           -0.06285   0.99799   0.00854
           Z           -0.00495  -0.00887   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23443     0.16480     0.10375
 Rotational constants (GHZ):           4.88475     3.43387     2.16182
 Zero-point vibrational energy     283968.8 (Joules/Mol)
                                   67.87018 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.14   332.55   395.65   402.31   510.14
          (Kelvin)            590.01   763.42   818.40  1063.42  1157.81
                             1217.97  1266.54  1351.31  1468.77  1556.49
                             1650.47  1745.13  1776.05  1892.14  2001.85
                             2028.70  2035.40  2145.67  2159.22  2387.62
                             2645.70  4365.67  4377.96  4457.32  4509.15
                             4956.58  5036.60  5158.03
 
 Zero-point correction=                           0.108158 (Hartree/Particle)
 Thermal correction to Energy=                    0.114761
 Thermal correction to Enthalpy=                  0.115706
 Thermal correction to Gibbs Free Energy=         0.077731
 Sum of electronic and zero-point Energies=           -323.796587
 Sum of electronic and thermal Energies=              -323.789984
 Sum of electronic and thermal Enthalpies=            -323.789040
 Sum of electronic and thermal Free Energies=         -323.827015
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.014             23.351             79.925
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.586
 Vibrational             70.236             17.389             13.967
 Vibration     1          0.596              1.974              4.531
 Vibration     2          0.653              1.793              1.870
 Vibration     3          0.677              1.720              1.565
 Vibration     4          0.680              1.711              1.536
 Vibration     5          0.730              1.566              1.146
 Vibration     6          0.774              1.448              0.926
 Vibration     7          0.886              1.182              0.586
 Vibration     8          0.925              1.099              0.507
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.176363D-35        -35.753591        -82.325687
 Total V=0       0.989913D+14         13.995597         32.226053
 Vib (Bot)       0.370489D-48        -48.431225       -111.517016
 Vib (Bot)    1  0.357465D+01          0.553234          1.273868
 Vib (Bot)    2  0.851704D+00         -0.069711         -0.160516
 Vib (Bot)    3  0.700997D+00         -0.154284         -0.355252
 Vib (Bot)    4  0.687712D+00         -0.162593         -0.374385
 Vib (Bot)    5  0.518804D+00         -0.284997         -0.656229
 Vib (Bot)    6  0.431406D+00         -0.365114         -0.840705
 Vib (Bot)    7  0.301238D+00         -0.521090         -1.199854
 Vib (Bot)    8  0.270886D+00         -0.567214         -1.306058
 Vib (V=0)       0.207952D+02          1.317964          3.034724
 Vib (V=0)    1  0.410945D+01          0.613784          1.413289
 Vib (V=0)    2  0.148762D+01          0.172493          0.397180
 Vib (V=0)    3  0.136104D+01          0.133872          0.308252
 Vib (V=0)    4  0.135026D+01          0.130419          0.300300
 Vib (V=0)    5  0.122053D+01          0.086547          0.199282
 Vib (V=0)    6  0.116039D+01          0.064603          0.148754
 Vib (V=0)    7  0.108373D+01          0.034922          0.080412
 Vib (V=0)    8  0.106866D+01          0.028841          0.066410
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.144127D+06          5.158745         11.878450
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3          3 333                                         1      1    11111  1  11 1 1 1                                    
     5  5 4          1 000                                         8      6    54443  3  22 1 0 0  9 8 88 7     5 5   4 3 222        
     8  0 4          3 943                                         3      5    09119  1  31 4 8 2  3 8 40 3     6 3   1 5 873     5  
     5  1 5          4 834                                         9      9    11501  5  43 7 2 1  9 0 75 9     9 1   0 5 051     8  
 
     X  X X          X XXX                                         X      X    XXXXX  X  XX X X X  X X XX X     X X   X X XXX     X  
          X            X                                           X      X      XX           X    X X X                             
          X                                                        X             XX           X      X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                    X                             
          X                                                        X             X                     X                             
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011566   -0.000004009   -0.000001502
      2        6           0.000022749    0.000009789   -0.000008385
      3        6          -0.000039041   -0.000008523    0.000008490
      4        8           0.000006385   -0.000009368    0.000000079
      5        7           0.000007820   -0.000004674   -0.000002018
      6        8          -0.000016107    0.000022782   -0.000002887
      7        1          -0.000000958   -0.000006978    0.000004706
      8        1          -0.000002105    0.000002909   -0.000001779
      9        1          -0.000003224    0.000001910    0.000000430
     10        1          -0.000002183    0.000002641    0.000000762
     11        1          -0.000002890    0.000002049   -0.000000885
     12        1          -0.000001593   -0.000000872    0.000002398
     13        1           0.000019581   -0.000007656    0.000000592
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039041 RMS     0.000010236
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.553672D+00
      2 -0.493741D-01  0.513378D+00
      3 -0.212447D-01 -0.364314D-01  0.547200D+00
      4 -0.110596D+00 -0.334432D-01 -0.251022D-01  0.445291D+00
      5 -0.439173D-01 -0.126987D+00 -0.377217D-01  0.451041D-02  0.475439D+00
      6 -0.302709D-01 -0.314890D-01 -0.991322D-01  0.191190D-02 -0.678461D-02
      7 -0.232467D-01 -0.138142D-01  0.172997D-02 -0.140724D+00  0.508923D-02
      8 -0.249321D-01  0.284929D-02  0.720795D-02 -0.170457D-01 -0.688647D-01
      9 -0.155749D-01  0.319883D-02  0.550874D-02  0.148585D-01 -0.728748D-02
     10  0.398955D-03  0.164560D-02  0.972246D-03 -0.153433D-01  0.347697D-01
     11 -0.189020D-02 -0.312163D-02 -0.550199D-03  0.172659D-01 -0.105282D-01
     12  0.153360D-02 -0.197282D-03 -0.409008D-04  0.479887D-02 -0.466705D-02
     13  0.748745D-02 -0.131318D-01  0.408234D-02 -0.808063D-01  0.631939D-01
     14  0.150010D-01 -0.399341D-01  0.104863D-01  0.181201D-01 -0.165096D+00
     15  0.523512D-02 -0.860519D-02  0.411428D-02  0.211138D-03  0.260658D-01
     16 -0.438377D-02  0.197991D-02  0.360328D-02 -0.207778D-01 -0.299114D-01
     17 -0.218483D-02  0.263325D-02  0.137880D-02 -0.761547D-02 -0.164771D-01
     18  0.362779D-02 -0.240479D-02 -0.234819D-02  0.105198D-01  0.141949D-01
     19  0.959342D-03 -0.541575D-03 -0.193726D-01 -0.481589D-01 -0.899504D-03
     20  0.213696D-03 -0.926855D-04 -0.270035D-01  0.156194D-02 -0.458275D-01
     21  0.216054D-04 -0.177243D-02 -0.137521D-01  0.153961D-01  0.177815D-01
     22 -0.283179D+00  0.733605D-02  0.783986D-01 -0.176018D-01  0.196382D-02
     23  0.950882D-02 -0.470759D-01 -0.186254D-02 -0.276972D-01 -0.183090D-02
     24  0.800150D-01 -0.245739D-02 -0.745804D-01 -0.153424D-01  0.505306D-03
     25 -0.479660D-01 -0.102126D-02  0.694868D-02 -0.137672D-02  0.116716D-02
     26 -0.208638D-03 -0.483634D-01  0.204163D-01 -0.711313D-03 -0.907026D-03
     27  0.568100D-02  0.193669D-01 -0.303384D+00 -0.168002D-02  0.827147D-03
     28 -0.929360D-01  0.995437D-01 -0.303565D-01  0.782462D-02 -0.132893D-01
     29  0.951293D-01 -0.253693D+00  0.616576D-01  0.104076D-01 -0.200531D-01
     30 -0.293935D-01  0.627864D-01 -0.661905D-01  0.732188D-02 -0.111651D-01
     31  0.680705D-03 -0.311889D-03  0.637447D-03 -0.543741D-02 -0.514797D-02
     32 -0.527853D-03  0.289108D-02  0.204432D-02  0.147486D-01 -0.356598D-02
     33  0.117296D-02 -0.242318D-02  0.318478D-02 -0.500205D-02  0.427823D-03
     34  0.902079D-03 -0.111008D-02 -0.853293D-04 -0.100970D-01 -0.406519D-02
     35  0.174815D-02 -0.112729D-02  0.345965D-03  0.241191D-01 -0.143234D-01
     36 -0.384064D-03  0.173777D-03 -0.741434D-03 -0.933341D-02  0.602318D-02
     37 -0.179324D-02  0.224275D-02 -0.211256D-03 -0.219684D-02 -0.134636D-01
     38  0.143409D-02 -0.135744D-02  0.321171D-04 -0.422068D-02 -0.977778D-03
     39 -0.419070D-03  0.254727D-03  0.161375D-03  0.144183D-02  0.180036D-02
                6             7             8             9            10 
      6  0.572598D+00
      7  0.107125D-01  0.625306D+00
      8  0.563863D-03 -0.216376D+00  0.917842D+00
      9 -0.954093D-01 -0.513494D-01 -0.420578D-01  0.244851D+00
     10  0.208307D-02 -0.288172D+00  0.282127D+00  0.496956D-02  0.280713D+00
     11 -0.111276D-02  0.294344D+00 -0.559872D+00  0.327117D-02 -0.323133D+00
     12  0.191768D-01  0.387038D-02  0.504813D-02 -0.778894D-01 -0.670722D-02
     13 -0.134613D-01 -0.177915D-01  0.193185D-01 -0.614385D-02 -0.674724D-02
     14  0.183846D-01  0.864381D-02 -0.189020D-01  0.357851D-02  0.543818D-02
     15 -0.105223D+00  0.236165D-02 -0.576719D-02  0.254382D-02  0.300632D-02
     16  0.103703D-01 -0.184150D+00 -0.530851D-01  0.309063D-01  0.387660D-01
     17  0.821708D-02 -0.106361D+00 -0.206235D+00  0.388343D-01  0.331692D-03
     18  0.186876D-01  0.371141D-01  0.283578D-01 -0.669406D-01 -0.420265D-02
     19  0.263215D-01 -0.244197D-02 -0.768497D-03  0.363761D-01 -0.149727D-02
     20  0.102470D-01 -0.139563D-02  0.334406D-03 -0.810196D-03  0.915874D-03
     21 -0.300021D+00  0.325344D-02  0.376795D-03 -0.101252D-01  0.397540D-03
     22  0.448794D-02  0.104775D-02 -0.158238D-02 -0.237060D-02 -0.274102D-03
     23  0.700641D-02  0.154823D-02 -0.544569D-02 -0.318740D-02 -0.116635D-03
     24  0.353665D-02 -0.482629D-03 -0.324202D-02 -0.813577D-03 -0.257683D-03
     25 -0.195679D-01  0.178023D-02 -0.396467D-03 -0.146530D-02 -0.443632D-03
     26 -0.270870D-01  0.166837D-02  0.702108D-03 -0.284286D-04 -0.109365D-04
     27 -0.144823D-01  0.186422D-02 -0.510272D-03 -0.574396D-04 -0.755762D-03
     28  0.638465D-02  0.707371D-03 -0.202671D-02  0.632463D-03 -0.189750D-02
     29  0.798625D-02  0.170909D-02 -0.347112D-02  0.335715D-03  0.711297D-03
     30  0.301126D-02 -0.337160D-03  0.725183D-03  0.467299D-03 -0.198739D-03
     31 -0.789389D-02  0.377757D-03  0.261503D-02 -0.255285D-02 -0.781896D-03
     32  0.362675D-01 -0.565112D-03 -0.382726D-03  0.884326D-03  0.460447D-03
     33 -0.904029D-02  0.177091D-03  0.333652D-03 -0.325720D-03  0.190084D-03
     34  0.490376D-02 -0.230233D-04  0.165649D-02 -0.893850D-03 -0.192770D-02
     35 -0.219916D-01 -0.278820D-02 -0.596732D-02  0.198663D-02  0.180286D-02
     36  0.750285D-02 -0.358238D-03  0.291257D-02  0.103680D-03 -0.165071D-02
     37  0.401837D-02  0.273296D-01  0.104959D-01 -0.739220D-02 -0.279255D-02
     38 -0.207601D-03  0.282978D-01 -0.525872D-01  0.128188D-02 -0.494179D-02
     39 -0.120558D-02 -0.855587D-02  0.605135D-02 -0.191347D-02  0.215395D-02
               11            12            13            14            15 
     11  0.677888D+00
     12 -0.165515D-01  0.355410D-01
     13  0.764545D-02  0.172736D-02  0.429196D+00
     14  0.497443D-03 -0.586781D-03 -0.193521D+00  0.345620D+00
     15 -0.156049D-02  0.101022D-02 -0.169603D-01  0.568471D-01  0.676806D+00
     16  0.184775D-01 -0.664441D-02 -0.178039D-01  0.727851D-03  0.410130D-02
     17 -0.108125D+00  0.154541D-01  0.163506D-01  0.525485D-02 -0.290265D-02
     18  0.120851D-01  0.140695D-01  0.183955D-03 -0.416243D-03  0.544278D-02
     19  0.424518D-04 -0.444302D-02 -0.953646D-03  0.489814D-02 -0.152304D-01
     20 -0.236857D-03  0.290874D-03  0.244925D-02 -0.927026D-02  0.342753D-01
     21  0.209384D-03  0.184890D-02 -0.821886D-03  0.280283D-02 -0.831212D-02
     22 -0.494572D-03  0.265457D-03  0.238531D-02  0.636197D-03 -0.928904D-04
     23  0.193817D-02  0.663194D-03  0.126913D-02  0.283317D-02  0.534454D-04
     24  0.388651D-03  0.401628D-03  0.218205D-04  0.107570D-02 -0.708044D-04
     25  0.552243D-03  0.756423D-03 -0.224216D-03  0.122364D-02  0.796901D-03
     26  0.254153D-03 -0.338991D-03 -0.642859D-04  0.295221D-02 -0.711795D-03
     27  0.517780D-03  0.413318D-03  0.321515D-03  0.439896D-03  0.201341D-02
     28  0.794228D-03 -0.102939D-03 -0.837624D-03 -0.462041D-02 -0.118426D-02
     29  0.284403D-02 -0.633922D-04 -0.284656D-02 -0.492938D-02 -0.202561D-02
     30 -0.385106D-03 -0.688211D-03 -0.217689D-02 -0.381626D-02  0.288041D-03
     31 -0.103829D-03  0.734959D-03 -0.103977D+00  0.221000D-01 -0.164216D+00
     32 -0.562080D-03 -0.611128D-03  0.112642D-01 -0.419839D-01 -0.322397D-01
     33 -0.149446D-03 -0.152100D-04 -0.125843D+00 -0.594705D-02 -0.353871D+00
     34  0.176950D-02  0.322059D-03 -0.216923D+00  0.120777D+00  0.185722D+00
     35  0.225868D-03 -0.405629D-03  0.894031D-01 -0.716301D-01 -0.628321D-01
     36  0.546217D-03  0.227972D-04  0.160239D+00 -0.820402D-01 -0.216153D+00
     37 -0.152691D-01  0.388849D-02  0.699624D-02  0.575045D-03 -0.375097D-02
     38 -0.120090D-02  0.196547D-02 -0.133059D-02 -0.541152D-02 -0.596808D-03
     39  0.329129D-02  0.614958D-02 -0.116869D-02 -0.808253D-03 -0.858898D-02
               16            17            18            19            20 
     16  0.449117D+00
     17 -0.923251D-01  0.522741D+00
     18 -0.611647D-01 -0.489899D-01  0.529998D-01
     19 -0.362269D-02 -0.219109D-02 -0.385046D-02  0.551533D-01
     20 -0.498620D-03  0.458030D-03 -0.567695D-03 -0.189361D-02  0.600433D-01
     21  0.114632D-02 -0.187353D-03  0.683910D-03 -0.170882D-01 -0.187128D-01
     22 -0.991087D-03 -0.112773D-02  0.643738D-03  0.648206D-03  0.363313D-03
     23 -0.176799D-02 -0.754277D-03  0.118566D-02  0.111877D-02  0.107444D-02
     24 -0.122435D-02 -0.506309D-03  0.599801D-03 -0.711963D-04  0.945151D-03
     25 -0.589166D-04  0.152382D-03  0.236792D-03 -0.121016D-02 -0.300408D-02
     26  0.819454D-04 -0.332745D-03  0.188684D-03 -0.298546D-02 -0.353274D-02
     27 -0.621020D-03 -0.506558D-03  0.151032D-03 -0.168994D-02 -0.197584D-02
     28  0.164630D-03  0.113700D-02 -0.275253D-03  0.767320D-03  0.476622D-03
     29 -0.376773D-03  0.165004D-02 -0.152275D-03  0.280802D-03  0.759568D-03
     30  0.976501D-05 -0.822427D-04  0.101745D-03  0.655318D-03  0.362219D-03
     31 -0.161589D-02 -0.265498D-03  0.236852D-02 -0.804854D-04  0.278362D-03
     32 -0.767178D-03  0.477548D-03  0.115834D-02  0.302683D-02 -0.575501D-02
     33  0.664187D-03 -0.674077D-03 -0.510944D-03 -0.144283D-02  0.162177D-02
     34 -0.220804D-02  0.106879D-02 -0.796286D-03  0.993839D-03 -0.111742D-03
     35 -0.298361D-02  0.272305D-02 -0.119956D-02 -0.606680D-03  0.228231D-02
     36 -0.126351D-02  0.279245D-03  0.260281D-03 -0.991809D-03  0.101832D-02
     37 -0.252436D+00  0.193031D+00  0.155946D-01 -0.556806D-03  0.644632D-03
     38  0.160449D+00 -0.204013D+00 -0.343991D-02  0.519430D-03 -0.237010D-03
     39  0.201165D-01 -0.103144D-01 -0.231967D-01  0.827535D-03  0.309360D-03
               21            22            23            24            25 
     21  0.325662D+00
     22 -0.287119D-03  0.308905D+00
     23  0.421063D-03 -0.631827D-02  0.491285D-01
     24  0.941383D-03 -0.853345D-01  0.507099D-02  0.768063D-01
     25 -0.147271D-02  0.724988D-03 -0.274458D-02  0.308970D-01  0.480303D-01
     26 -0.212948D-02  0.151169D-03 -0.105904D-02 -0.123581D-02  0.379419D-02
     27  0.627938D-03  0.195650D-03  0.993038D-03 -0.884608D-02 -0.429489D-02
     28  0.614643D-04 -0.110027D-01  0.261441D-01 -0.868009D-02  0.879084D-04
     29 -0.294954D-03 -0.240681D-03  0.145980D-02 -0.799395D-03  0.127332D-03
     30  0.401913D-03  0.382229D-02 -0.104643D-01  0.218906D-02 -0.132463D-01
     31  0.458752D-03 -0.943889D-04 -0.162585D-03  0.431479D-03  0.530085D-03
     32  0.162526D-02 -0.354945D-03 -0.402648D-03  0.259003D-04  0.115113D-03
     33  0.126640D-02  0.280719D-03  0.485243D-03 -0.194403D-03  0.504144D-03
     34 -0.718146D-03 -0.708653D-04 -0.738556D-04  0.207986D-03 -0.261028D-04
     35 -0.124804D-04 -0.690516D-03 -0.430707D-03 -0.403411D-04  0.357844D-04
     36  0.119604D-02  0.242688D-04 -0.233454D-03  0.135206D-03  0.486344D-04
     37 -0.347196D-03 -0.497342D-03 -0.707939D-03 -0.180548D-03  0.152245D-03
     38 -0.107392D-03  0.358543D-03  0.565162D-03  0.269574D-03 -0.145213D-05
     39 -0.417879D-03 -0.335711D-04 -0.131313D-03 -0.104702D-03 -0.141535D-03
               26            27            28            29            30 
     26  0.510939D-01
     27 -0.186359D-01  0.331542D+00
     28 -0.208134D-02  0.641372D-03  0.973127D-01
     29 -0.645979D-03  0.563953D-03 -0.105580D+00  0.276317D+00
     30  0.287183D-01 -0.794654D-02  0.331426D-01 -0.664191D-01  0.682806D-01
     31  0.563178D-03  0.347101D-03 -0.228340D-03  0.109618D-04  0.737946D-04
     32 -0.367433D-03 -0.139612D-02  0.150938D-03  0.604401D-03 -0.415284D-03
     33  0.892097D-03 -0.336830D-04 -0.251538D-03 -0.876509D-03 -0.147758D-03
     34  0.462855D-04  0.133291D-03 -0.370226D-03 -0.442904D-03  0.115646D-03
     35  0.899962D-04  0.179697D-03 -0.559928D-03 -0.495955D-03  0.276631D-03
     36  0.448440D-04  0.119881D-03 -0.211663D-04  0.155684D-03  0.218894D-03
     37 -0.243167D-03 -0.142516D-03  0.407887D-03  0.111034D-02  0.211274D-03
     38  0.115957D-03  0.136302D-03 -0.891243D-04 -0.347155D-03 -0.121244D-03
     39 -0.927367D-04 -0.118255D-03  0.914366D-05 -0.679487D-04  0.141677D-04
               31            32            33            34            35 
     31  0.101105D+00
     32 -0.188781D-01  0.497772D-01
     33  0.145375D+00  0.713283D-02  0.381927D+00
     34  0.980144D-02 -0.885676D-02 -0.145888D-01  0.218077D+00
     35 -0.606640D-03 -0.674759D-03 -0.118125D-02 -0.112336D+00  0.888756D-01
     36  0.284329D-01 -0.120276D-01 -0.230637D-01 -0.176023D+00  0.831932D-01
     37 -0.279858D-03  0.183843D-03 -0.123609D-02  0.187156D-02  0.346287D-02
     38 -0.910942D-04 -0.557368D-04  0.358096D-03  0.167835D-02  0.452701D-03
     39 -0.419771D-02 -0.244859D-02  0.825063D-03  0.170012D-02  0.168081D-02
               36            37            38            39 
     36  0.230623D+00
     37  0.128066D-02  0.223795D+00
     38 -0.458117D-04 -0.182062D+00  0.265054D+00
     39 -0.225245D-03 -0.117326D-01  0.475338D-03  0.286207D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.599172D+02 -0.110008D+01 -0.401229D+00
      2  -0.110008D+01  0.615859D+02 -0.549323D+00
      3  -0.401229D+00 -0.549323D+00  0.449855D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.574883D+00  0.223758D+01  0.552199D+01
      2  -0.328582D+01 -0.176488D+01 -0.188719D+02
      3   0.327348D+01  0.107561D+02  0.131743D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.436472D+02 -0.425885D+00 -0.103934D+01
      2   0.266478D+02 -0.767130D+01  0.131899D+01
      3   0.169994D+02  0.809718D+01 -0.279657D+00
      4  -0.112407D+02 -0.218729D+02 -0.569682D+01
      5  -0.128249D+01 -0.679021D+01 -0.419493D+02
      6  -0.436607D+01 -0.223297D+01 -0.655360D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.509485D+01 -0.631461D+00 -0.239534D+01 -0.173906D+01 -0.340503D+01
      2  -0.631461D+00 -0.458933D+01 -0.212921D+00 -0.340503D+01  0.249338D+01
      3  -0.239534D+01 -0.212921D+00  0.293374D-01 -0.307878D+00 -0.202722D+01
                 6             7             8             9            10 
      1  -0.307878D+00 -0.290216D+01 -0.677739D+00  0.420987D+00 -0.405382D+01
      2  -0.202722D+01 -0.677739D+00 -0.240543D+01 -0.609639D-01  0.110300D+01
      3  -0.326506D+00  0.420987D+00 -0.609639D-01  0.699972D+01  0.665537D+00
                11            12            13            14            15 
      1   0.110300D+01  0.665537D+00  0.128753D+01  0.297093D+01  0.439582D+00
      2   0.415091D+01  0.462892D+00  0.297093D+01 -0.161230D+01  0.118424D+01
      3   0.462892D+00  0.139395D+00  0.439582D+00  0.118424D+01  0.692643D+00
                16            17            18            19            20 
      1   0.691276D+00  0.961158D+00  0.301609D+00  0.280218D+01  0.859067D+00
      2   0.961158D+00  0.202237D+01  0.258030D+00  0.859067D+00 -0.346446D+01
      3   0.301609D+00  0.258030D+00 -0.685245D+01 -0.235253D-01  0.239387D+00
                21            22            23            24            25 
      1  -0.235253D-01  0.225962D+01 -0.427617D+01  0.182606D+00 -0.706139D+00
      2   0.239387D+00 -0.427617D+01  0.336541D+01  0.254436D-01  0.506010D+00
      3   0.151073D+00  0.182606D+00  0.254436D-01  0.500443D+00  0.506752D-01
                26            27            28            29            30 
      1   0.506010D+00  0.506752D-01  0.546986D+01 -0.425013D+01  0.215861D+00
      2  -0.391811D+00  0.271232D+00 -0.425013D+01  0.408529D+01 -0.301201D+00
      3   0.271232D+00  0.518427D+00  0.215861D+00 -0.301201D+00  0.104869D+01
                31            32            33            34            35 
      1  -0.478525D+01  0.393456D+01  0.602483D-02  0.367610D+00 -0.224282D-01
      2   0.393456D+01 -0.101080D+02  0.133988D+00 -0.224282D-01  0.495135D-01
      3   0.602483D-02  0.133988D+00 -0.227699D+01  0.199367D+01 -0.275914D+01
                36            37            38            39            40 
      1   0.199367D+01  0.306294D+01 -0.171049D+01 -0.831207D+00 -0.131672D+01
      2  -0.275914D+01 -0.171049D+01 -0.630945D+00  0.355741D+00 -0.786470D+00
      3   0.149960D+00 -0.831207D+00  0.355741D+00  0.273837D+01  0.431344D+00
                41            42            43            44            45 
      1  -0.786470D+00  0.431344D+00 -0.106344D+01  0.648352D+00  0.301001D+01
      2   0.534175D+01 -0.918028D+00  0.648352D+00 -0.104811D+01 -0.320683D+00
      3  -0.918028D+00 -0.185452D+00  0.301001D+01 -0.320683D+00  0.297409D+01
                46            47            48            49            50 
      1   0.709254D+01  0.163852D+01 -0.686571D+00 -0.182235D+01  0.372850D+01
      2   0.163852D+01  0.354067D+01 -0.356014D+00  0.372850D+01  0.235496D+01
      3  -0.686571D+00 -0.356014D+00  0.847804D+00 -0.196451D-01 -0.358351D+00
                51            52            53            54            55 
      1  -0.196451D-01 -0.813911D+00 -0.502339D+00  0.128902D+01  0.150899D+00
      2  -0.358351D+00 -0.502339D+00 -0.398528D+00  0.170057D+01 -0.170029D+00
      3   0.880352D+00  0.128902D+01  0.170057D+01 -0.111846D+01  0.971381D+00
                56            57            58            59            60 
      1  -0.170029D+00  0.971381D+00 -0.486945D+00 -0.703704D+00  0.116890D-01
      2  -0.726802D+00 -0.452720D-01 -0.703704D+00  0.657201D-01  0.107061D+01
      3  -0.452720D-01 -0.497455D+00  0.116890D-01  0.107061D+01 -0.489390D+00
                61            62            63            64            65 
      1   0.171888D+01 -0.117314D+00 -0.617921D+00 -0.926927D+01 -0.141435D+01
      2  -0.117314D+00  0.144442D+01 -0.509913D-01 -0.141435D+01 -0.136434D+01
      3  -0.617921D+00 -0.509913D-01  0.882284D+01  0.148700D+01  0.110758D+00
                66            67            68            69            70 
      1   0.148700D+01  0.239969D+00 -0.775786D+00  0.126429D+00  0.236401D+01
      2   0.110758D+00 -0.775786D+00 -0.589117D+00  0.471742D+00  0.378602D+00
      3  -0.156912D+01  0.126429D+00  0.471742D+00  0.921141D-01 -0.138260D+01
                71            72            73            74            75 
      1   0.378602D+00 -0.138260D+01 -0.724076D+00 -0.117048D+00 -0.628284D+00
      2   0.964486D+00 -0.218824D+00 -0.117048D+00  0.536048D+00  0.624574D-01
      3  -0.218824D+00  0.319738D+00 -0.628284D+00  0.624574D-01  0.832209D-01
                76            77            78            79            80 
      1   0.355485D+00  0.202118D+00  0.171307D+00 -0.137914D+01 -0.368330D+00
      2   0.202118D+00 -0.400047D+00 -0.718331D+00 -0.368330D+00 -0.173388D+01
      3   0.171307D+00 -0.718331D+00  0.336944D+00 -0.975725D+00 -0.926008D+00
                81            82            83            84            85 
      1  -0.975725D+00  0.825896D+00 -0.591156D+00  0.484554D+00 -0.143522D+01
      2  -0.926008D+00 -0.591156D+00  0.249688D+01 -0.130146D+00  0.964643D+00
      3  -0.843513D+01  0.484554D+00 -0.130146D+00  0.632045D+00 -0.219879D+00
                86            87            88            89            90 
      1   0.964643D+00 -0.219879D+00  0.756074D+00  0.674061D-01  0.165336D+00
      2  -0.820044D+01  0.102462D+01  0.674061D-01  0.163783D+01 -0.112423D+01
      3   0.102462D+01 -0.137593D+01  0.165336D+00 -0.112423D+01  0.746741D-01
                91            92            93            94            95 
      1  -0.155073D+01  0.106461D+01 -0.133385D+01  0.765543D+00 -0.200361D+00
      2   0.106461D+01 -0.653946D+00  0.634480D+00 -0.200361D+00  0.709969D+00
      3  -0.133385D+01  0.634480D+00 -0.189293D+01  0.306892D+00 -0.394589D+00
                96            97            98            99           100 
      1   0.306892D+00 -0.277931D+01  0.748390D+00 -0.253336D+01 -0.460926D+01
      2  -0.394589D+00  0.748390D+00 -0.191672D+01  0.113288D+01  0.273592D+01
      3   0.210217D+00 -0.253336D+01  0.113288D+01 -0.539505D+01  0.168481D+01
               101           102           103           104           105 
      1   0.273592D+01  0.168481D+01  0.292515D+01 -0.160402D+01 -0.947776D+00
      2  -0.231983D+01 -0.104523D+01 -0.160402D+01  0.200716D+01  0.763816D+00
      3  -0.104523D+01 -0.175571D+01 -0.947776D+00  0.763816D+00  0.971882D+00
               106           107           108           109           110 
      1   0.338913D+01 -0.157543D+01 -0.204615D+01 -0.429202D+01  0.148354D+01
      2  -0.157543D+01  0.187789D+01  0.136964D+01  0.148354D+01 -0.106015D+01
      3  -0.204615D+01  0.136964D+01  0.219031D+01  0.389634D+00  0.225073D+00
               111           112           113           114           115 
      1   0.389634D+00  0.375225D+01 -0.492170D-01 -0.180696D+00  0.357131D+00
      2   0.225073D+00 -0.492170D-01  0.457151D+01 -0.257942D+00 -0.463418D-01
      3   0.452730D-01 -0.180696D+00 -0.257942D+00  0.969675D+00  0.324448D+00
               116           117 
      1  -0.463418D-01  0.324448D+00
      2  -0.102035D+00  0.728505D+00
      3   0.728505D+00 -0.248674D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.443955D+01 -0.540926D-01 -0.533512D+00 -0.752927D+00 -0.694033D+01
      2   0.652671D+01  0.166577D+01  0.125620D+01  0.188869D+01  0.280515D+01
      3  -0.798883D+01 -0.944308D+01  0.306583D+01 -0.127958D+01  0.127022D+02
                 6             7             8             9            10 
      1  -0.266719D+01  0.109897D+01  0.223831D+01  0.886193D+01  0.106151D+01
      2   0.843603D+00 -0.332795D+01 -0.680626D-01 -0.984453D+01  0.847358D+00
      3  -0.315299D+01  0.324871D+01 -0.315816D+01 -0.929529D+00  0.398686D+01
                11            12            13            14            15 
      1   0.115100D+01 -0.148332D+00  0.183826D+01  0.605660D+00  0.745296D+00
      2   0.143898D+01  0.308735D+01 -0.120783D+01 -0.366582D+01 -0.106953D+01
      3  -0.213498D+01 -0.117527D+01  0.119020D+01 -0.311044D+01  0.149586D+01
                16            17            18            19            20 
      1  -0.924784D-02  0.527451D+01 -0.851230D+00  0.912171D-01  0.112590D+01
      2  -0.322833D+01 -0.563109D+00  0.227660D+01 -0.495649D+01 -0.185609D+01
      3   0.597320D+00  0.278080D+01 -0.354004D+00  0.350897D+01  0.313561D+01
                21            22            23            24            25 
      1  -0.128657D+01  0.212132D+01  0.108664D+01  0.820427D+01  0.235430D+01
      2  -0.607503D+01 -0.169225D+01  0.128107D+01  0.266483D+01 -0.177927D+02
      3   0.726607D+00  0.237941D+01 -0.641289D+01 -0.178701D+01 -0.344764D+00
                26            27            28            29            30 
      1   0.993772D+01 -0.214900D+01 -0.299317D+00  0.336407D+00  0.428610D+01
      2  -0.946342D+00  0.353321D+01 -0.143766D+00  0.117118D+00  0.703153D+01
      3  -0.312652D+01 -0.690025D+00 -0.222530D+01 -0.850100D+01  0.157182D+00
                31            32            33            34            35 
      1  -0.291813D+00 -0.782334D+00 -0.878951D+01 -0.620881D+00  0.151198D+01
      2   0.182684D+01 -0.420621D+00 -0.474323D+01  0.304459D+01 -0.203786D+01
      3   0.669854D+01  0.134755D+02  0.363726D+00  0.761250D+00  0.690809D+00
                36            37            38            39            40 
      1   0.338938D+00  0.218901D+01 -0.180006D+01 -0.549125D+01 -0.281782D+01
      2  -0.997730D+00  0.193345D+01 -0.224693D+01  0.627844D+00 -0.134756D+01
      3   0.314637D+01  0.469029D+01 -0.106515D+02 -0.340529D+00  0.170016D+01
                41            42            43            44            45 
      1   0.312395D+01 -0.431551D+01 -0.741976D+01  0.533318D+01 -0.463514D+01
      2   0.186050D+01  0.879461D+00 -0.708884D+01  0.164679D+01 -0.250532D+01
      3   0.277976D+01  0.186336D+00 -0.155525D+01  0.410122D+00  0.568131D+01
                46            47            48            49            50 
      1   0.133785D+01 -0.124037D+01 -0.347378D+01 -0.786158D+00  0.578323D+00
      2   0.180774D+01 -0.426249D+00  0.597314D+01 -0.829071D+00 -0.243519D+00
      3   0.130950D+02 -0.131803D+02 -0.392705D+00 -0.805442D+01  0.197859D+01
                51            52            53            54            55 
      1  -0.513637D+01 -0.239657D+01  0.137638D+01  0.147390D+01  0.150281D+00
      2   0.119209D+01  0.358654D+01  0.224189D+01 -0.227814D+01 -0.111206D+00
      3   0.595232D+00 -0.132845D+01  0.193795D+01 -0.140276D+01 -0.675310D+00
                56            57            58            59            60 
      1  -0.754680D+00 -0.294282D+00 -0.812770D+00  0.218157D+00 -0.616911D+00
      2  -0.236532D+00  0.440073D+00  0.211974D+00  0.212069D+00  0.583873D+00
      3  -0.126808D+01  0.117343D+00  0.805442D+00  0.517635D+00  0.747440D+00
                61            62            63            64            65 
      1  -0.587183D+00  0.306048D+01  0.102643D+01  0.169215D+01 -0.931475D-01
      2  -0.249148D+01  0.339227D+00 -0.515287D+01 -0.368242D+01 -0.136102D+00
      3  -0.434267D+00  0.827418D+00  0.207761D+00  0.100730D+02 -0.351729D+01
                66            67            68            69            70 
      1  -0.223991D+01  0.193701D+00  0.642997D+00 -0.577481D+00 -0.145751D+01
      2   0.570736D+01 -0.304369D+00 -0.690666D+00 -0.312881D+00  0.145200D+01
      3  -0.211937D+01  0.247678D-01 -0.160406D+00  0.672373D+00 -0.230144D+01
                71            72            73            74            75 
      1   0.721498D+00  0.377756D+00 -0.665477D+00 -0.264552D+00 -0.219806D+00
      2   0.126223D+00 -0.115862D+01  0.693812D+00 -0.109853D+00  0.753821D+00
      3   0.183901D+01  0.133321D+01  0.688231D+00  0.192322D+00  0.803874D+00
                76            77            78            79            80 
      1  -0.541780D-01 -0.101358D+01 -0.521380D+00 -0.930728D+00  0.262236D+01
      2  -0.147503D+00  0.985038D+00 -0.265737D+00 -0.206545D+01  0.941614D+00
      3   0.765528D+00 -0.961573D+00 -0.919773D+00  0.161918D+01 -0.233408D+01
                81            82            83            84            85 
      1  -0.112208D+02  0.113730D+01 -0.544665D+00  0.175914D+01 -0.819601D+00
      2   0.127716D+02 -0.742597D+00 -0.102990D+00 -0.188885D+00  0.210028D+00
      3   0.642179D-01 -0.446212D+01  0.445535D+01 -0.139899D+01  0.677033D+01
                86            87            88            89            90 
      1   0.315672D+01 -0.445882D+01  0.487227D+00 -0.740349D+00  0.508403D+00
      2  -0.963302D+00  0.145957D+01 -0.120028D+01  0.105448D+01  0.477718D-01
      3  -0.144368D+02  0.226543D+01 -0.184557D+01  0.256228D+01 -0.183972D+01
                91            92            93            94            95 
      1   0.239122D+01 -0.435737D+00  0.377983D+01 -0.495658D+00  0.130353D+01
      2   0.546551D+00 -0.683158D+00  0.289450D+01 -0.455524D+00  0.320406D+00
      3  -0.123492D+01  0.115042D+00 -0.129842D+01  0.181086D+01  0.215017D+00
                96            97            98            99           100 
      1  -0.830790D+00  0.531233D+01  0.816531D-01  0.958816D+01 -0.316206D+01
      2  -0.473430D+00  0.813905D+00 -0.161430D+01  0.630280D+01 -0.931241D+00
      3   0.283537D+00 -0.438900D+01 -0.194726D+01 -0.336875D+01 -0.523755D+01
               101           102           103           104           105 
      1   0.160362D+01  0.380039D+01  0.199485D+01 -0.952769D+00 -0.185241D+01
      2   0.142931D+01  0.313189D+01  0.996684D+00 -0.692197D+00 -0.158382D+01
      3   0.923671D-01  0.161757D+01  0.452925D+01  0.492436D+00 -0.105205D+01
               106           107           108           109           110 
      1   0.387844D+01 -0.110594D+01 -0.358134D+01 -0.148413D+01  0.970387D+00
      2   0.116688D+01 -0.156858D+01 -0.301000D+01 -0.198764D+01  0.871890D+00
      3   0.508888D+01  0.353591D+00 -0.210158D+01 -0.136679D+02  0.990987D+01
               111           112           113           114           115 
      1   0.619922D-01  0.882546D+00 -0.752120D+00 -0.167716D+01 -0.259733D+00
      2  -0.214583D+01  0.849885D+00 -0.788115D+00  0.825199D+00 -0.283001D+01
      3   0.511788D+00  0.126206D+02 -0.762904D+01  0.101354D+00  0.883403D+00
               116           117 
      1   0.483908D+00 -0.129370D-01
      2   0.998061D+00  0.215821D+00
      3  -0.835960D+00  0.253499D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.300770D+02 -0.812013D+01  0.104571D+02 -0.258644D+01  0.146557D+02
      2   0.149904D+02  0.123604D+02 -0.589015D+01  0.731846D+01 -0.157958D+02
      3   0.150865D+02 -0.424029D+01 -0.456691D+01 -0.473202D+01  0.114007D+01
      4  -0.921326D+01  0.106082D+02  0.591891D+01  0.131685D+02  0.507496D+01
      5   0.102218D+02  0.173546D+01  0.376293D+00  0.174515D+01  0.676113D+01
      6   0.770719D+01  0.163714D+01  0.359135D+00  0.189431D+01  0.885716D+01
                 6             7             8             9            10 
      1  -0.319035D+01  0.127357D+02 -0.127171D+01  0.505558D+01  0.570392D+01
      2   0.570431D+01 -0.454766D+01  0.549796D+01  0.805129D+01 -0.135692D+01
      3  -0.251397D+01 -0.818806D+01 -0.422624D+01 -0.131069D+02 -0.434700D+01
      4   0.516564D+01  0.777294D+01  0.664809D+01  0.236165D+01 -0.246681D+01
      5   0.156435D+01 -0.388432D+00  0.138897D+01 -0.187729D+02 -0.231714D+01
      6   0.313559D+01 -0.853000D-01  0.110034D+01 -0.128445D+02 -0.360452D+00
                11            12            13            14            15 
      1  -0.510928D+01  0.310923D+00 -0.882415D+00  0.472815D+00 -0.202028D+01
      2   0.495631D+01 -0.270776D+00 -0.265554D+00 -0.802496D+01  0.743119D+00
      3   0.152970D+00 -0.401467D-01  0.114797D+01  0.755214D+01  0.127716D+01
      4  -0.381092D+01 -0.142978D+01 -0.160761D+02 -0.651974D+00 -0.337689D+01
      5  -0.134070D+01  0.104418D+01 -0.250538D+01 -0.249960D+01 -0.181117D+01
      6  -0.293757D+01  0.682709D+00 -0.262931D+01 -0.236162D+01 -0.521939D+01
                16            17            18            19            20 
      1  -0.646136D+01 -0.258405D+01  0.828326D+01 -0.835212D+01 -0.216143D+01
      2  -0.544146D+00  0.196790D+01  0.984588D+01 -0.816257D-01  0.480628D+01
      3   0.700551D+01  0.616160D+00 -0.181291D+02  0.843375D+01 -0.264485D+01
      4  -0.160448D+01 -0.652679D+01 -0.234729D+01  0.794032D+01 -0.198424D+02
      5  -0.769180D+00 -0.821443D+00  0.112923D+02 -0.173463D+01  0.221575D+01
      6  -0.778681D+00  0.122647D+01  0.199011D+01 -0.241801D+00  0.420913D+00
                21            22            23            24            25 
      1  -0.227699D+01  0.109362D+02 -0.105148D+01 -0.644957D+00  0.156141D+01
      2  -0.133570D+01 -0.511179D+01 -0.759405D+01 -0.198231D+01 -0.230111D+01
      3   0.361269D+01 -0.582437D+01  0.864553D+01  0.262727D+01  0.739704D+00
      4   0.109687D+01 -0.241276D+02  0.126680D+02  0.867144D+00  0.176033D+01
      5  -0.750894D+01  0.314549D+01 -0.224585D+00  0.368961D+01  0.122064D+01
      6   0.908206D+00  0.156104D+00  0.168322D+01 -0.136871D+02 -0.374378D-01
                26            27            28            29            30 
      1   0.625638D+00 -0.636723D+01  0.236795D+02 -0.677532D+01  0.523763D+00
      2   0.688860D+00 -0.547076D+01 -0.929873D+01 -0.222125D+01 -0.333372D+00
      3  -0.131450D+01  0.118380D+02 -0.143807D+02  0.899657D+01 -0.190391D+00
      4   0.461024D+01  0.235241D+01 -0.240627D+02  0.259276D+02 -0.129208D+01
      5   0.885533D+00  0.303005D+01  0.277607D+01 -0.169164D+01  0.113013D+02
      6   0.402749D+01  0.201671D+01 -0.539401D+00  0.391836D+00 -0.623524D+01
                31            32            33            34            35 
      1  -0.108687D+02 -0.566275D+01 -0.149580D+00  0.366065D+00  0.232185D+00
      2  -0.808028D+00  0.207705D+02  0.939611D+00  0.418941D+00  0.533814D+00
      3   0.116767D+02 -0.151077D+02 -0.790032D+00 -0.785006D+00 -0.765999D+00
      4   0.284170D+02 -0.360223D+02  0.831511D+00 -0.275719D+00 -0.426519D+00
      5  -0.195622D+01  0.201169D+01 -0.930983D+01  0.119637D+02 -0.932641D+01
      6   0.659988D+00 -0.360347D+00  0.137514D+02 -0.492516D+01  0.103252D+02
                36            37            38            39            40 
      1   0.435550D+00  0.392015D+01  0.105783D+02  0.182001D+01  0.834160D+01
      2  -0.176294D+01 -0.458834D+01 -0.888898D+01  0.224220D+01 -0.523042D+01
      3   0.132739D+01  0.668191D+00 -0.168929D+01 -0.406221D+01 -0.311118D+01
      4  -0.956652D+01  0.127641D+02 -0.780093D+00 -0.328954D+01  0.585013D+01
      5   0.621135D+00  0.354581D+01 -0.298327D+01 -0.623080D+01 -0.219362D+01
      6  -0.646968D+00 -0.429215D+01  0.371186D+01  0.831226D+01  0.354860D+01
                41            42            43            44            45 
      1  -0.120309D+02 -0.158413D+00  0.152282D+01 -0.157776D+01 -0.973029D+01
      2   0.232068D+02 -0.240863D+01  0.326266D+01 -0.252266D+01  0.623806D+01
      3  -0.111759D+02  0.256704D+01 -0.478548D+01  0.410042D+01  0.349223D+01
      4  -0.108101D+02  0.365147D+01 -0.574111D+01  0.436185D+01  0.928109D+01
      5   0.274267D+01  0.126111D+01 -0.722105D+01  0.424568D+01 -0.810204D+01
      6  -0.378290D+01  0.493526D+01  0.112904D+02  0.152478D+01  0.550558D+01
                46            47            48            49            50 
      1   0.221561D+02  0.355630D+01 -0.199313D-01 -0.329066D+01  0.968802D+00
      2  -0.123270D+02  0.297375D+01  0.148645D+01  0.740393D+01  0.638471D+01
      3  -0.982905D+01 -0.653005D+01 -0.146652D+01 -0.411327D+01 -0.735351D+01
      4   0.220537D+02  0.192954D+02 -0.168643D+01  0.141829D+02  0.150373D+02
      5  -0.253550D+01 -0.103612D+01  0.110791D+02  0.181589D+00 -0.142628D+01
      6  -0.138320D+01 -0.774652D+00  0.552437D+01 -0.810563D+00 -0.193178D+01
                51            52            53            54            55 
      1   0.175002D+01  0.331320D+00  0.553536D+00  0.135895D+00  0.730868D+00
      2  -0.260683D+00  0.114809D+01 -0.706396D+00 -0.411409D+01 -0.342195D+01
      3  -0.148933D+01 -0.147941D+01  0.152859D+00  0.397820D+01  0.269108D+01
      4  -0.127648D+01 -0.201816D+01 -0.231077D+01  0.653683D+01  0.673743D+00
      5   0.368229D+01  0.983371D+01  0.593145D+01 -0.444080D+01 -0.187983D+01
      6   0.108738D+02  0.313300D+01  0.757602D+01 -0.313702D+01 -0.633497D+00
                56            57            58            59            60 
      1   0.363299D+00 -0.169418D+01 -0.316752D+00 -0.362098D+01  0.690099D+00
      2   0.882210D-01  0.118687D+01 -0.570262D-01  0.227999D+00  0.211569D+00
      3  -0.451520D+00  0.507308D+00  0.373778D+00  0.339298D+01 -0.901668D+00
      4   0.234518D+01 -0.272955D+00  0.365948D+01  0.436565D+00 -0.125976D+01
      5  -0.298565D+00  0.661606D+01 -0.118458D+00 -0.148555D+01  0.901861D+00
      6   0.756189D+00 -0.156238D+00  0.133211D+00 -0.763814D+00  0.687888D+01
                61            62            63            64            65 
      1   0.483682D+00  0.125138D+00 -0.175241D+02  0.499387D+02  0.453412D+01
      2   0.224493D+01  0.198856D+00 -0.173130D+02 -0.242972D+02  0.498132D+00
      3  -0.272861D+01 -0.323994D+00  0.348372D+02 -0.256415D+02 -0.503225D+01
      4  -0.916960D+00 -0.189620D+01  0.636667D+00  0.230272D+02  0.113943D+02
      5   0.589003D+01  0.726794D-01 -0.136024D+02 -0.679084D+01 -0.875125D+00
      6   0.460859D+00  0.462542D+01 -0.199288D+01 -0.442295D+01 -0.668648D+00
                66            67            68            69            70 
      1  -0.794040D+01 -0.217744D+01  0.294339D+01  0.528685D+00 -0.107701D+02
      2   0.408470D+01  0.293906D+01  0.880653D+00 -0.111573D+01  0.596842D+01
      3   0.385570D+01 -0.761613D+00 -0.382404D+01  0.587046D+00  0.480167D+01
      4  -0.368674D+01  0.704034D+01  0.264786D+01 -0.211409D+01 -0.548562D+01
      5   0.929034D+01 -0.290800D+00 -0.192967D+01 -0.444468D+00  0.896468D+01
      6   0.445862D+01 -0.640334D+00 -0.103147D+01  0.109486D+01  0.349123D+01
                71            72            73            74            75 
      1  -0.166633D+00  0.481421D+01  0.394118D+01  0.144458D+01  0.207006D+01
      2  -0.154391D+01 -0.510207D+01 -0.385066D+01 -0.167147D+01 -0.108205D+01
      3   0.171054D+01  0.287854D+00 -0.905172D-01  0.226890D+00 -0.988010D+00
      4  -0.429135D+01  0.283618D+01  0.203523D+01  0.233957D+00  0.133098D+01
      5   0.112078D+01 -0.383432D+01  0.148197D+01  0.263770D+00  0.496584D+01
      6   0.182020D+01 -0.917354D+00  0.978571D+00 -0.410139D+00  0.558892D+00
                76            77            78            79            80 
      1  -0.335399D+00 -0.377446D+01 -0.128593D+01  0.324602D+01 -0.266263D+01
      2   0.155065D+00  0.220281D+01  0.249541D+01 -0.301247D+01  0.269359D+01
      3   0.180334D+00  0.157165D+01 -0.120948D+01 -0.233549D+00 -0.309625D-01
      4   0.453043D+00  0.198670D+00  0.230255D+01  0.380092D+01  0.536562D+01
      5  -0.945018D+00  0.178299D+01 -0.670631D+00  0.776869D+01  0.242910D+01
      6   0.325256D+00  0.881962D+00  0.499755D+01  0.209231D+01  0.718292D+01
                81            82            83            84            85 
      1  -0.121299D+02 -0.831410D+00  0.743551D+01 -0.188136D+01  0.688473D+01
      2  -0.134679D+02  0.305749D+01 -0.107308D+02  0.190655D+01 -0.669784D+01
      3   0.255978D+02 -0.222608D+01  0.329534D+01 -0.251846D-01 -0.186887D+00
      4   0.167844D+01 -0.185714D+01 -0.350026D+00 -0.120982D+01  0.469137D+01
      5   0.240935D+02 -0.130232D+01  0.436406D+00 -0.510150D+00  0.102174D+01
      6   0.189152D+02 -0.153207D+01  0.804934D+00 -0.265844D+01  0.384099D+00
                86            87            88            89            90 
      1  -0.230827D+02  0.323781D+01 -0.252444D+01  0.403209D+01 -0.468074D+01
      2   0.387470D+02 -0.527831D+01  0.134388D+01 -0.606350D+01  0.304595D+01
      3  -0.156643D+02  0.204050D+01  0.118056D+01  0.203142D+01  0.163479D+01
      4   0.142607D+02 -0.183416D+01 -0.222086D+01 -0.328411D+01  0.109462D+01
      5  -0.342443D+01  0.357019D+01  0.964080D+00  0.206379D+01  0.464458D+00
      6  -0.383358D+01  0.708620D+01 -0.115504D+01  0.702141D+01 -0.238548D+01
                91            92            93            94            95 
      1   0.509141D+01 -0.227328D+01  0.311960D+01 -0.251533D+01 -0.158876D+01
      2  -0.305926D+01  0.474110D+00 -0.264450D+01  0.107851D+01  0.185601D+01
      3  -0.203215D+01  0.179917D+01 -0.475106D+00  0.143682D+01 -0.267251D+00
      4  -0.641831D+01  0.517419D+01 -0.410435D+01  0.373214D+01 -0.190933D+01
      5   0.633213D+01 -0.238990D+01  0.893897D+01 -0.109768D+01  0.192758D+01
      6  -0.352534D+01  0.210519D+01 -0.594784D+01  0.199288D+01 -0.877765D+00
                96            97            98            99           100 
      1  -0.279880D+00  0.664664D+01  0.601045D+00  0.142361D+01  0.137457D+02
      2  -0.585001D+00 -0.649313D+01 -0.967683D+00 -0.867257D+01 -0.372716D+01
      3   0.864881D+00 -0.153506D+00  0.366639D+00  0.724896D+01 -0.100186D+02
      4   0.259184D+01 -0.731609D+01  0.630070D+01 -0.726924D+01 -0.182888D+02
      5  -0.102664D+01  0.106145D+02 -0.431872D+01  0.178111D+02 -0.941294D+01
      6   0.348394D+01 -0.734739D+01  0.472458D+01 -0.145115D+02  0.732565D+01
               101           102           103           104           105 
      1  -0.570089D+01 -0.467489D+01 -0.636830D+01  0.611912D+00  0.152085D+01
      2  -0.101232D+01  0.908660D+00  0.147396D+00  0.443639D+01  0.108896D+01
      3   0.671321D+01  0.376623D+01  0.622091D+01 -0.504830D+01 -0.260981D+01
      4   0.147042D+02  0.742989D+01  0.128911D+02 -0.913188D+01 -0.532558D+01
      5   0.561608D+01  0.893837D+01  0.387798D+01 -0.425028D+01 -0.315359D+01
      6  -0.529208D+01 -0.640714D+01 -0.509558D+01  0.419182D+01  0.483072D+01
               106           107           108           109           110 
      1  -0.747200D+01  0.174904D+01  0.273116D+01 -0.975739D+01  0.761461D+00
      2   0.322259D+01  0.945674D+00 -0.263731D+01  0.801612D+01 -0.898959D+00
      3   0.424942D+01 -0.269471D+01 -0.938490D-01  0.174127D+01  0.137498D+00
      4   0.114923D+02 -0.879326D+01 -0.853411D+01 -0.728744D+01 -0.331378D+01
      5   0.101017D+02 -0.601697D+01 -0.914605D+01  0.121414D+01 -0.201484D+00
      6  -0.797365D+01  0.692921D+01  0.797435D+01  0.919457D+00  0.255030D+00
               111           112           113           114           115 
      1  -0.348633D+00  0.391233D+01 -0.989793D+01  0.368129D+00  0.601710D+00
      2   0.859513D-02 -0.233853D+01  0.148165D+02 -0.284743D+00 -0.443507D+00
      3   0.340038D+00 -0.157380D+01 -0.491854D+01 -0.833863D-01 -0.158203D+00
      4   0.645727D+00  0.603490D+01  0.710139D+01 -0.624411D+00  0.752486D+00
      5  -0.331504D+01 -0.864781D+00  0.143396D-01  0.174692D+01  0.974199D+00
      6   0.600716D+00 -0.319891D+00 -0.122020D+01  0.282379D+01  0.734794D+00
               116           117 
      1   0.710341D+00 -0.243733D+01
      2  -0.356283D+00  0.136918D+01
      3  -0.354058D+00  0.106815D+01
      4   0.242503D+00  0.939280D+00
      5   0.124549D+01  0.184655D+00
      6   0.350181D+01 -0.515592D+00
 Leave Link  716 at Thu Aug 12 19:27:42 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.599172D+02 -0.110008D+01 -0.401229D+00
      2  -0.110008D+01  0.615859D+02 -0.549323D+00
      3  -0.401229D+00 -0.549323D+00  0.449855D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.574883D+00  0.223758D+01  0.552199D+01
      2  -0.328582D+01 -0.176488D+01 -0.188719D+02
      3   0.327348D+01  0.107561D+02  0.131743D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.436472D+02 -0.425885D+00 -0.103934D+01
      2   0.266478D+02 -0.767130D+01  0.131899D+01
      3   0.169994D+02  0.809718D+01 -0.279657D+00
      4  -0.112407D+02 -0.218729D+02 -0.569682D+01
      5  -0.128249D+01 -0.679021D+01 -0.419493D+02
      6  -0.436607D+01 -0.223297D+01 -0.655360D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.509485D+01 -0.631461D+00 -0.239534D+01 -0.173906D+01 -0.340503D+01
      2  -0.631461D+00 -0.458933D+01 -0.212921D+00 -0.340503D+01  0.249338D+01
      3  -0.239534D+01 -0.212921D+00  0.293374D-01 -0.307878D+00 -0.202722D+01
                 6             7             8             9            10 
      1  -0.307878D+00 -0.290216D+01 -0.677739D+00  0.420987D+00 -0.405382D+01
      2  -0.202722D+01 -0.677739D+00 -0.240543D+01 -0.609639D-01  0.110300D+01
      3  -0.326506D+00  0.420987D+00 -0.609639D-01  0.699972D+01  0.665537D+00
                11            12            13            14            15 
      1   0.110300D+01  0.665537D+00  0.128753D+01  0.297093D+01  0.439582D+00
      2   0.415091D+01  0.462892D+00  0.297093D+01 -0.161230D+01  0.118424D+01
      3   0.462892D+00  0.139395D+00  0.439582D+00  0.118424D+01  0.692643D+00
                16            17            18            19            20 
      1   0.691276D+00  0.961158D+00  0.301609D+00  0.280218D+01  0.859067D+00
      2   0.961158D+00  0.202237D+01  0.258030D+00  0.859067D+00 -0.346446D+01
      3   0.301609D+00  0.258030D+00 -0.685245D+01 -0.235253D-01  0.239387D+00
                21            22            23            24            25 
      1  -0.235253D-01  0.225962D+01 -0.427617D+01  0.182606D+00 -0.706139D+00
      2   0.239387D+00 -0.427617D+01  0.336541D+01  0.254436D-01  0.506010D+00
      3   0.151073D+00  0.182606D+00  0.254436D-01  0.500443D+00  0.506752D-01
                26            27            28            29            30 
      1   0.506010D+00  0.506752D-01  0.546986D+01 -0.425013D+01  0.215861D+00
      2  -0.391811D+00  0.271232D+00 -0.425013D+01  0.408529D+01 -0.301201D+00
      3   0.271232D+00  0.518427D+00  0.215861D+00 -0.301201D+00  0.104869D+01
                31            32            33            34            35 
      1  -0.478525D+01  0.393456D+01  0.602483D-02  0.367610D+00 -0.224282D-01
      2   0.393456D+01 -0.101080D+02  0.133988D+00 -0.224282D-01  0.495135D-01
      3   0.602483D-02  0.133988D+00 -0.227699D+01  0.199367D+01 -0.275914D+01
                36            37            38            39            40 
      1   0.199367D+01  0.306294D+01 -0.171049D+01 -0.831207D+00 -0.131672D+01
      2  -0.275914D+01 -0.171049D+01 -0.630945D+00  0.355741D+00 -0.786470D+00
      3   0.149960D+00 -0.831207D+00  0.355741D+00  0.273837D+01  0.431344D+00
                41            42            43            44            45 
      1  -0.786470D+00  0.431344D+00 -0.106344D+01  0.648352D+00  0.301001D+01
      2   0.534175D+01 -0.918028D+00  0.648352D+00 -0.104811D+01 -0.320683D+00
      3  -0.918028D+00 -0.185452D+00  0.301001D+01 -0.320683D+00  0.297409D+01
                46            47            48            49            50 
      1   0.709254D+01  0.163852D+01 -0.686571D+00 -0.182235D+01  0.372850D+01
      2   0.163852D+01  0.354067D+01 -0.356014D+00  0.372850D+01  0.235496D+01
      3  -0.686571D+00 -0.356014D+00  0.847804D+00 -0.196451D-01 -0.358351D+00
                51            52            53            54            55 
      1  -0.196451D-01 -0.813911D+00 -0.502339D+00  0.128902D+01  0.150899D+00
      2  -0.358351D+00 -0.502339D+00 -0.398528D+00  0.170057D+01 -0.170029D+00
      3   0.880352D+00  0.128902D+01  0.170057D+01 -0.111846D+01  0.971381D+00
                56            57            58            59            60 
      1  -0.170029D+00  0.971381D+00 -0.486945D+00 -0.703704D+00  0.116890D-01
      2  -0.726802D+00 -0.452720D-01 -0.703704D+00  0.657201D-01  0.107061D+01
      3  -0.452720D-01 -0.497455D+00  0.116890D-01  0.107061D+01 -0.489390D+00
                61            62            63            64            65 
      1   0.171888D+01 -0.117314D+00 -0.617921D+00 -0.926927D+01 -0.141435D+01
      2  -0.117314D+00  0.144442D+01 -0.509913D-01 -0.141435D+01 -0.136434D+01
      3  -0.617921D+00 -0.509913D-01  0.882284D+01  0.148700D+01  0.110758D+00
                66            67            68            69            70 
      1   0.148700D+01  0.239969D+00 -0.775786D+00  0.126429D+00  0.236401D+01
      2   0.110758D+00 -0.775786D+00 -0.589117D+00  0.471742D+00  0.378602D+00
      3  -0.156912D+01  0.126429D+00  0.471742D+00  0.921141D-01 -0.138260D+01
                71            72            73            74            75 
      1   0.378602D+00 -0.138260D+01 -0.724076D+00 -0.117048D+00 -0.628284D+00
      2   0.964486D+00 -0.218824D+00 -0.117048D+00  0.536048D+00  0.624574D-01
      3  -0.218824D+00  0.319738D+00 -0.628284D+00  0.624574D-01  0.832209D-01
                76            77            78            79            80 
      1   0.355485D+00  0.202118D+00  0.171307D+00 -0.137914D+01 -0.368330D+00
      2   0.202118D+00 -0.400047D+00 -0.718331D+00 -0.368330D+00 -0.173388D+01
      3   0.171307D+00 -0.718331D+00  0.336944D+00 -0.975725D+00 -0.926008D+00
                81            82            83            84            85 
      1  -0.975725D+00  0.825896D+00 -0.591156D+00  0.484554D+00 -0.143522D+01
      2  -0.926008D+00 -0.591156D+00  0.249688D+01 -0.130146D+00  0.964643D+00
      3  -0.843513D+01  0.484554D+00 -0.130146D+00  0.632045D+00 -0.219879D+00
                86            87            88            89            90 
      1   0.964643D+00 -0.219879D+00  0.756074D+00  0.674061D-01  0.165336D+00
      2  -0.820044D+01  0.102462D+01  0.674061D-01  0.163783D+01 -0.112423D+01
      3   0.102462D+01 -0.137593D+01  0.165336D+00 -0.112423D+01  0.746741D-01
                91            92            93            94            95 
      1  -0.155073D+01  0.106461D+01 -0.133385D+01  0.765543D+00 -0.200361D+00
      2   0.106461D+01 -0.653946D+00  0.634480D+00 -0.200361D+00  0.709969D+00
      3  -0.133385D+01  0.634480D+00 -0.189293D+01  0.306892D+00 -0.394589D+00
                96            97            98            99           100 
      1   0.306892D+00 -0.277931D+01  0.748390D+00 -0.253336D+01 -0.460926D+01
      2  -0.394589D+00  0.748390D+00 -0.191672D+01  0.113288D+01  0.273592D+01
      3   0.210217D+00 -0.253336D+01  0.113288D+01 -0.539505D+01  0.168481D+01
               101           102           103           104           105 
      1   0.273592D+01  0.168481D+01  0.292515D+01 -0.160402D+01 -0.947776D+00
      2  -0.231983D+01 -0.104523D+01 -0.160402D+01  0.200716D+01  0.763816D+00
      3  -0.104523D+01 -0.175571D+01 -0.947776D+00  0.763816D+00  0.971882D+00
               106           107           108           109           110 
      1   0.338913D+01 -0.157543D+01 -0.204615D+01 -0.429202D+01  0.148354D+01
      2  -0.157543D+01  0.187789D+01  0.136964D+01  0.148354D+01 -0.106015D+01
      3  -0.204615D+01  0.136964D+01  0.219031D+01  0.389634D+00  0.225073D+00
               111           112           113           114           115 
      1   0.389634D+00  0.375225D+01 -0.492170D-01 -0.180696D+00  0.357131D+00
      2   0.225073D+00 -0.492170D-01  0.457151D+01 -0.257942D+00 -0.463418D-01
      3   0.452730D-01 -0.180696D+00 -0.257942D+00  0.969675D+00  0.324448D+00
               116           117 
      1  -0.463418D-01  0.324448D+00
      2  -0.102035D+00  0.728505D+00
      3   0.728505D+00 -0.248674D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.443955D+01 -0.540926D-01 -0.533512D+00 -0.752927D+00 -0.694033D+01
      2   0.652671D+01  0.166577D+01  0.125620D+01  0.188869D+01  0.280515D+01
      3  -0.798883D+01 -0.944308D+01  0.306583D+01 -0.127958D+01  0.127022D+02
                 6             7             8             9            10 
      1  -0.266719D+01  0.109897D+01  0.223831D+01  0.886193D+01  0.106151D+01
      2   0.843603D+00 -0.332795D+01 -0.680626D-01 -0.984453D+01  0.847358D+00
      3  -0.315299D+01  0.324871D+01 -0.315816D+01 -0.929529D+00  0.398686D+01
                11            12            13            14            15 
      1   0.115100D+01 -0.148332D+00  0.183826D+01  0.605660D+00  0.745296D+00
      2   0.143898D+01  0.308735D+01 -0.120783D+01 -0.366582D+01 -0.106953D+01
      3  -0.213498D+01 -0.117527D+01  0.119020D+01 -0.311044D+01  0.149586D+01
                16            17            18            19            20 
      1  -0.924784D-02  0.527451D+01 -0.851230D+00  0.912171D-01  0.112590D+01
      2  -0.322833D+01 -0.563109D+00  0.227660D+01 -0.495649D+01 -0.185609D+01
      3   0.597320D+00  0.278080D+01 -0.354004D+00  0.350897D+01  0.313561D+01
                21            22            23            24            25 
      1  -0.128657D+01  0.212132D+01  0.108664D+01  0.820427D+01  0.235430D+01
      2  -0.607503D+01 -0.169225D+01  0.128107D+01  0.266483D+01 -0.177927D+02
      3   0.726607D+00  0.237941D+01 -0.641289D+01 -0.178701D+01 -0.344764D+00
                26            27            28            29            30 
      1   0.993772D+01 -0.214900D+01 -0.299317D+00  0.336407D+00  0.428610D+01
      2  -0.946342D+00  0.353321D+01 -0.143766D+00  0.117118D+00  0.703153D+01
      3  -0.312652D+01 -0.690025D+00 -0.222530D+01 -0.850100D+01  0.157182D+00
                31            32            33            34            35 
      1  -0.291813D+00 -0.782334D+00 -0.878951D+01 -0.620881D+00  0.151198D+01
      2   0.182684D+01 -0.420621D+00 -0.474323D+01  0.304459D+01 -0.203786D+01
      3   0.669854D+01  0.134755D+02  0.363726D+00  0.761250D+00  0.690809D+00
                36            37            38            39            40 
      1   0.338938D+00  0.218901D+01 -0.180006D+01 -0.549125D+01 -0.281782D+01
      2  -0.997730D+00  0.193345D+01 -0.224693D+01  0.627844D+00 -0.134756D+01
      3   0.314637D+01  0.469029D+01 -0.106515D+02 -0.340529D+00  0.170016D+01
                41            42            43            44            45 
      1   0.312395D+01 -0.431551D+01 -0.741976D+01  0.533318D+01 -0.463514D+01
      2   0.186050D+01  0.879461D+00 -0.708884D+01  0.164679D+01 -0.250532D+01
      3   0.277976D+01  0.186336D+00 -0.155525D+01  0.410122D+00  0.568131D+01
                46            47            48            49            50 
      1   0.133785D+01 -0.124037D+01 -0.347378D+01 -0.786158D+00  0.578323D+00
      2   0.180774D+01 -0.426249D+00  0.597314D+01 -0.829071D+00 -0.243519D+00
      3   0.130950D+02 -0.131803D+02 -0.392705D+00 -0.805442D+01  0.197859D+01
                51            52            53            54            55 
      1  -0.513637D+01 -0.239657D+01  0.137638D+01  0.147390D+01  0.150281D+00
      2   0.119209D+01  0.358654D+01  0.224189D+01 -0.227814D+01 -0.111206D+00
      3   0.595232D+00 -0.132845D+01  0.193795D+01 -0.140276D+01 -0.675310D+00
                56            57            58            59            60 
      1  -0.754680D+00 -0.294282D+00 -0.812770D+00  0.218157D+00 -0.616911D+00
      2  -0.236532D+00  0.440073D+00  0.211974D+00  0.212069D+00  0.583873D+00
      3  -0.126808D+01  0.117343D+00  0.805442D+00  0.517635D+00  0.747440D+00
                61            62            63            64            65 
      1  -0.587183D+00  0.306048D+01  0.102643D+01  0.169215D+01 -0.931475D-01
      2  -0.249148D+01  0.339227D+00 -0.515287D+01 -0.368242D+01 -0.136102D+00
      3  -0.434267D+00  0.827418D+00  0.207761D+00  0.100730D+02 -0.351729D+01
                66            67            68            69            70 
      1  -0.223991D+01  0.193701D+00  0.642997D+00 -0.577481D+00 -0.145751D+01
      2   0.570736D+01 -0.304369D+00 -0.690666D+00 -0.312881D+00  0.145200D+01
      3  -0.211937D+01  0.247678D-01 -0.160406D+00  0.672373D+00 -0.230144D+01
                71            72            73            74            75 
      1   0.721498D+00  0.377756D+00 -0.665477D+00 -0.264552D+00 -0.219806D+00
      2   0.126223D+00 -0.115862D+01  0.693812D+00 -0.109853D+00  0.753821D+00
      3   0.183901D+01  0.133321D+01  0.688231D+00  0.192322D+00  0.803874D+00
                76            77            78            79            80 
      1  -0.541780D-01 -0.101358D+01 -0.521380D+00 -0.930728D+00  0.262236D+01
      2  -0.147503D+00  0.985038D+00 -0.265737D+00 -0.206545D+01  0.941614D+00
      3   0.765528D+00 -0.961573D+00 -0.919773D+00  0.161918D+01 -0.233408D+01
                81            82            83            84            85 
      1  -0.112208D+02  0.113730D+01 -0.544665D+00  0.175914D+01 -0.819601D+00
      2   0.127716D+02 -0.742597D+00 -0.102990D+00 -0.188885D+00  0.210028D+00
      3   0.642179D-01 -0.446212D+01  0.445535D+01 -0.139899D+01  0.677033D+01
                86            87            88            89            90 
      1   0.315672D+01 -0.445882D+01  0.487227D+00 -0.740349D+00  0.508403D+00
      2  -0.963302D+00  0.145957D+01 -0.120028D+01  0.105448D+01  0.477718D-01
      3  -0.144368D+02  0.226543D+01 -0.184557D+01  0.256228D+01 -0.183972D+01
                91            92            93            94            95 
      1   0.239122D+01 -0.435737D+00  0.377983D+01 -0.495658D+00  0.130353D+01
      2   0.546551D+00 -0.683158D+00  0.289450D+01 -0.455524D+00  0.320406D+00
      3  -0.123492D+01  0.115042D+00 -0.129842D+01  0.181086D+01  0.215017D+00
                96            97            98            99           100 
      1  -0.830790D+00  0.531233D+01  0.816531D-01  0.958816D+01 -0.316206D+01
      2  -0.473430D+00  0.813905D+00 -0.161430D+01  0.630280D+01 -0.931241D+00
      3   0.283537D+00 -0.438900D+01 -0.194726D+01 -0.336875D+01 -0.523755D+01
               101           102           103           104           105 
      1   0.160362D+01  0.380039D+01  0.199485D+01 -0.952769D+00 -0.185241D+01
      2   0.142931D+01  0.313189D+01  0.996684D+00 -0.692197D+00 -0.158382D+01
      3   0.923671D-01  0.161757D+01  0.452925D+01  0.492436D+00 -0.105205D+01
               106           107           108           109           110 
      1   0.387844D+01 -0.110594D+01 -0.358134D+01 -0.148413D+01  0.970387D+00
      2   0.116688D+01 -0.156858D+01 -0.301000D+01 -0.198764D+01  0.871890D+00
      3   0.508888D+01  0.353591D+00 -0.210158D+01 -0.136679D+02  0.990987D+01
               111           112           113           114           115 
      1   0.619922D-01  0.882546D+00 -0.752120D+00 -0.167716D+01 -0.259733D+00
      2  -0.214583D+01  0.849885D+00 -0.788115D+00  0.825199D+00 -0.283001D+01
      3   0.511788D+00  0.126206D+02 -0.762904D+01  0.101354D+00  0.883403D+00
               116           117 
      1   0.483908D+00 -0.129370D-01
      2   0.998061D+00  0.215821D+00
      3  -0.835960D+00  0.253499D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.300770D+02 -0.812013D+01  0.104571D+02 -0.258644D+01  0.146557D+02
      2   0.149904D+02  0.123604D+02 -0.589015D+01  0.731846D+01 -0.157958D+02
      3   0.150865D+02 -0.424029D+01 -0.456691D+01 -0.473202D+01  0.114007D+01
      4  -0.921326D+01  0.106082D+02  0.591891D+01  0.131685D+02  0.507496D+01
      5   0.102218D+02  0.173546D+01  0.376293D+00  0.174515D+01  0.676113D+01
      6   0.770719D+01  0.163714D+01  0.359135D+00  0.189431D+01  0.885716D+01
                 6             7             8             9            10 
      1  -0.319035D+01  0.127357D+02 -0.127171D+01  0.505558D+01  0.570392D+01
      2   0.570431D+01 -0.454766D+01  0.549796D+01  0.805129D+01 -0.135692D+01
      3  -0.251397D+01 -0.818806D+01 -0.422624D+01 -0.131069D+02 -0.434700D+01
      4   0.516564D+01  0.777294D+01  0.664809D+01  0.236165D+01 -0.246681D+01
      5   0.156435D+01 -0.388432D+00  0.138897D+01 -0.187729D+02 -0.231714D+01
      6   0.313559D+01 -0.853000D-01  0.110034D+01 -0.128445D+02 -0.360452D+00
                11            12            13            14            15 
      1  -0.510928D+01  0.310923D+00 -0.882415D+00  0.472815D+00 -0.202028D+01
      2   0.495631D+01 -0.270776D+00 -0.265554D+00 -0.802496D+01  0.743119D+00
      3   0.152970D+00 -0.401467D-01  0.114797D+01  0.755214D+01  0.127716D+01
      4  -0.381092D+01 -0.142978D+01 -0.160761D+02 -0.651974D+00 -0.337689D+01
      5  -0.134070D+01  0.104418D+01 -0.250538D+01 -0.249960D+01 -0.181117D+01
      6  -0.293757D+01  0.682709D+00 -0.262931D+01 -0.236162D+01 -0.521939D+01
                16            17            18            19            20 
      1  -0.646136D+01 -0.258405D+01  0.828326D+01 -0.835212D+01 -0.216143D+01
      2  -0.544146D+00  0.196790D+01  0.984588D+01 -0.816257D-01  0.480628D+01
      3   0.700551D+01  0.616160D+00 -0.181291D+02  0.843375D+01 -0.264485D+01
      4  -0.160448D+01 -0.652679D+01 -0.234729D+01  0.794032D+01 -0.198424D+02
      5  -0.769180D+00 -0.821443D+00  0.112923D+02 -0.173463D+01  0.221575D+01
      6  -0.778681D+00  0.122647D+01  0.199011D+01 -0.241801D+00  0.420913D+00
                21            22            23            24            25 
      1  -0.227699D+01  0.109362D+02 -0.105148D+01 -0.644957D+00  0.156141D+01
      2  -0.133570D+01 -0.511179D+01 -0.759405D+01 -0.198231D+01 -0.230111D+01
      3   0.361269D+01 -0.582437D+01  0.864553D+01  0.262727D+01  0.739704D+00
      4   0.109687D+01 -0.241276D+02  0.126680D+02  0.867144D+00  0.176033D+01
      5  -0.750894D+01  0.314549D+01 -0.224585D+00  0.368961D+01  0.122064D+01
      6   0.908206D+00  0.156104D+00  0.168322D+01 -0.136871D+02 -0.374378D-01
                26            27            28            29            30 
      1   0.625638D+00 -0.636723D+01  0.236795D+02 -0.677532D+01  0.523763D+00
      2   0.688860D+00 -0.547076D+01 -0.929873D+01 -0.222125D+01 -0.333372D+00
      3  -0.131450D+01  0.118380D+02 -0.143807D+02  0.899657D+01 -0.190391D+00
      4   0.461024D+01  0.235241D+01 -0.240627D+02  0.259276D+02 -0.129208D+01
      5   0.885533D+00  0.303005D+01  0.277607D+01 -0.169164D+01  0.113013D+02
      6   0.402749D+01  0.201671D+01 -0.539401D+00  0.391836D+00 -0.623524D+01
                31            32            33            34            35 
      1  -0.108687D+02 -0.566275D+01 -0.149580D+00  0.366065D+00  0.232185D+00
      2  -0.808028D+00  0.207705D+02  0.939611D+00  0.418941D+00  0.533814D+00
      3   0.116767D+02 -0.151077D+02 -0.790032D+00 -0.785006D+00 -0.765999D+00
      4   0.284170D+02 -0.360223D+02  0.831511D+00 -0.275719D+00 -0.426519D+00
      5  -0.195622D+01  0.201169D+01 -0.930983D+01  0.119637D+02 -0.932641D+01
      6   0.659988D+00 -0.360347D+00  0.137514D+02 -0.492516D+01  0.103252D+02
                36            37            38            39            40 
      1   0.435550D+00  0.392015D+01  0.105783D+02  0.182001D+01  0.834160D+01
      2  -0.176294D+01 -0.458834D+01 -0.888898D+01  0.224220D+01 -0.523042D+01
      3   0.132739D+01  0.668191D+00 -0.168929D+01 -0.406221D+01 -0.311118D+01
      4  -0.956652D+01  0.127641D+02 -0.780093D+00 -0.328954D+01  0.585013D+01
      5   0.621135D+00  0.354581D+01 -0.298327D+01 -0.623080D+01 -0.219362D+01
      6  -0.646968D+00 -0.429215D+01  0.371186D+01  0.831226D+01  0.354860D+01
                41            42            43            44            45 
      1  -0.120309D+02 -0.158413D+00  0.152282D+01 -0.157776D+01 -0.973029D+01
      2   0.232068D+02 -0.240863D+01  0.326266D+01 -0.252266D+01  0.623806D+01
      3  -0.111759D+02  0.256704D+01 -0.478548D+01  0.410042D+01  0.349223D+01
      4  -0.108101D+02  0.365147D+01 -0.574111D+01  0.436185D+01  0.928109D+01
      5   0.274267D+01  0.126111D+01 -0.722105D+01  0.424568D+01 -0.810204D+01
      6  -0.378290D+01  0.493526D+01  0.112904D+02  0.152478D+01  0.550558D+01
                46            47            48            49            50 
      1   0.221561D+02  0.355630D+01 -0.199313D-01 -0.329066D+01  0.968802D+00
      2  -0.123270D+02  0.297375D+01  0.148645D+01  0.740393D+01  0.638471D+01
      3  -0.982905D+01 -0.653005D+01 -0.146652D+01 -0.411327D+01 -0.735351D+01
      4   0.220537D+02  0.192954D+02 -0.168643D+01  0.141829D+02  0.150373D+02
      5  -0.253550D+01 -0.103612D+01  0.110791D+02  0.181589D+00 -0.142628D+01
      6  -0.138320D+01 -0.774652D+00  0.552437D+01 -0.810563D+00 -0.193178D+01
                51            52            53            54            55 
      1   0.175002D+01  0.331320D+00  0.553536D+00  0.135895D+00  0.730868D+00
      2  -0.260683D+00  0.114809D+01 -0.706396D+00 -0.411409D+01 -0.342195D+01
      3  -0.148933D+01 -0.147941D+01  0.152859D+00  0.397820D+01  0.269108D+01
      4  -0.127648D+01 -0.201816D+01 -0.231077D+01  0.653683D+01  0.673743D+00
      5   0.368229D+01  0.983371D+01  0.593145D+01 -0.444080D+01 -0.187983D+01
      6   0.108738D+02  0.313300D+01  0.757602D+01 -0.313702D+01 -0.633497D+00
                56            57            58            59            60 
      1   0.363299D+00 -0.169418D+01 -0.316752D+00 -0.362098D+01  0.690099D+00
      2   0.882210D-01  0.118687D+01 -0.570262D-01  0.227999D+00  0.211569D+00
      3  -0.451520D+00  0.507308D+00  0.373778D+00  0.339298D+01 -0.901668D+00
      4   0.234518D+01 -0.272955D+00  0.365948D+01  0.436565D+00 -0.125976D+01
      5  -0.298565D+00  0.661606D+01 -0.118458D+00 -0.148555D+01  0.901861D+00
      6   0.756189D+00 -0.156238D+00  0.133211D+00 -0.763814D+00  0.687888D+01
                61            62            63            64            65 
      1   0.483682D+00  0.125138D+00 -0.175241D+02  0.499387D+02  0.453412D+01
      2   0.224493D+01  0.198856D+00 -0.173130D+02 -0.242972D+02  0.498132D+00
      3  -0.272861D+01 -0.323994D+00  0.348372D+02 -0.256415D+02 -0.503225D+01
      4  -0.916960D+00 -0.189620D+01  0.636667D+00  0.230272D+02  0.113943D+02
      5   0.589003D+01  0.726794D-01 -0.136024D+02 -0.679084D+01 -0.875125D+00
      6   0.460859D+00  0.462542D+01 -0.199288D+01 -0.442295D+01 -0.668648D+00
                66            67            68            69            70 
      1  -0.794040D+01 -0.217744D+01  0.294339D+01  0.528685D+00 -0.107701D+02
      2   0.408470D+01  0.293906D+01  0.880653D+00 -0.111573D+01  0.596842D+01
      3   0.385570D+01 -0.761613D+00 -0.382404D+01  0.587046D+00  0.480167D+01
      4  -0.368674D+01  0.704034D+01  0.264786D+01 -0.211409D+01 -0.548562D+01
      5   0.929034D+01 -0.290800D+00 -0.192967D+01 -0.444468D+00  0.896468D+01
      6   0.445862D+01 -0.640334D+00 -0.103147D+01  0.109486D+01  0.349123D+01
                71            72            73            74            75 
      1  -0.166633D+00  0.481421D+01  0.394118D+01  0.144458D+01  0.207006D+01
      2  -0.154391D+01 -0.510207D+01 -0.385066D+01 -0.167147D+01 -0.108205D+01
      3   0.171054D+01  0.287854D+00 -0.905172D-01  0.226890D+00 -0.988010D+00
      4  -0.429135D+01  0.283618D+01  0.203523D+01  0.233957D+00  0.133098D+01
      5   0.112078D+01 -0.383432D+01  0.148197D+01  0.263770D+00  0.496584D+01
      6   0.182020D+01 -0.917354D+00  0.978571D+00 -0.410139D+00  0.558892D+00
                76            77            78            79            80 
      1  -0.335399D+00 -0.377446D+01 -0.128593D+01  0.324602D+01 -0.266263D+01
      2   0.155065D+00  0.220281D+01  0.249541D+01 -0.301247D+01  0.269359D+01
      3   0.180334D+00  0.157165D+01 -0.120948D+01 -0.233549D+00 -0.309625D-01
      4   0.453043D+00  0.198670D+00  0.230255D+01  0.380092D+01  0.536562D+01
      5  -0.945018D+00  0.178299D+01 -0.670631D+00  0.776869D+01  0.242910D+01
      6   0.325256D+00  0.881962D+00  0.499755D+01  0.209231D+01  0.718292D+01
                81            82            83            84            85 
      1  -0.121299D+02 -0.831410D+00  0.743551D+01 -0.188136D+01  0.688473D+01
      2  -0.134679D+02  0.305749D+01 -0.107308D+02  0.190655D+01 -0.669784D+01
      3   0.255978D+02 -0.222608D+01  0.329534D+01 -0.251846D-01 -0.186887D+00
      4   0.167844D+01 -0.185714D+01 -0.350026D+00 -0.120982D+01  0.469137D+01
      5   0.240935D+02 -0.130232D+01  0.436406D+00 -0.510150D+00  0.102174D+01
      6   0.189152D+02 -0.153207D+01  0.804934D+00 -0.265844D+01  0.384099D+00
                86            87            88            89            90 
      1  -0.230827D+02  0.323781D+01 -0.252444D+01  0.403209D+01 -0.468074D+01
      2   0.387470D+02 -0.527831D+01  0.134388D+01 -0.606350D+01  0.304595D+01
      3  -0.156643D+02  0.204050D+01  0.118056D+01  0.203142D+01  0.163479D+01
      4   0.142607D+02 -0.183416D+01 -0.222086D+01 -0.328411D+01  0.109462D+01
      5  -0.342443D+01  0.357019D+01  0.964080D+00  0.206379D+01  0.464458D+00
      6  -0.383358D+01  0.708620D+01 -0.115504D+01  0.702141D+01 -0.238548D+01
                91            92            93            94            95 
      1   0.509141D+01 -0.227328D+01  0.311960D+01 -0.251533D+01 -0.158876D+01
      2  -0.305926D+01  0.474110D+00 -0.264450D+01  0.107851D+01  0.185601D+01
      3  -0.203215D+01  0.179917D+01 -0.475106D+00  0.143682D+01 -0.267251D+00
      4  -0.641831D+01  0.517419D+01 -0.410435D+01  0.373214D+01 -0.190933D+01
      5   0.633213D+01 -0.238990D+01  0.893897D+01 -0.109768D+01  0.192758D+01
      6  -0.352534D+01  0.210519D+01 -0.594784D+01  0.199288D+01 -0.877765D+00
                96            97            98            99           100 
      1  -0.279880D+00  0.664664D+01  0.601045D+00  0.142361D+01  0.137457D+02
      2  -0.585001D+00 -0.649313D+01 -0.967683D+00 -0.867257D+01 -0.372716D+01
      3   0.864881D+00 -0.153506D+00  0.366639D+00  0.724896D+01 -0.100186D+02
      4   0.259184D+01 -0.731609D+01  0.630070D+01 -0.726924D+01 -0.182888D+02
      5  -0.102664D+01  0.106145D+02 -0.431872D+01  0.178111D+02 -0.941294D+01
      6   0.348394D+01 -0.734739D+01  0.472458D+01 -0.145115D+02  0.732565D+01
               101           102           103           104           105 
      1  -0.570089D+01 -0.467489D+01 -0.636830D+01  0.611912D+00  0.152085D+01
      2  -0.101232D+01  0.908660D+00  0.147396D+00  0.443639D+01  0.108896D+01
      3   0.671321D+01  0.376623D+01  0.622091D+01 -0.504830D+01 -0.260981D+01
      4   0.147042D+02  0.742989D+01  0.128911D+02 -0.913188D+01 -0.532558D+01
      5   0.561608D+01  0.893837D+01  0.387798D+01 -0.425028D+01 -0.315359D+01
      6  -0.529208D+01 -0.640714D+01 -0.509558D+01  0.419182D+01  0.483072D+01
               106           107           108           109           110 
      1  -0.747200D+01  0.174904D+01  0.273116D+01 -0.975739D+01  0.761461D+00
      2   0.322259D+01  0.945674D+00 -0.263731D+01  0.801612D+01 -0.898959D+00
      3   0.424942D+01 -0.269471D+01 -0.938490D-01  0.174127D+01  0.137498D+00
      4   0.114923D+02 -0.879326D+01 -0.853411D+01 -0.728744D+01 -0.331378D+01
      5   0.101017D+02 -0.601697D+01 -0.914605D+01  0.121414D+01 -0.201484D+00
      6  -0.797365D+01  0.692921D+01  0.797435D+01  0.919457D+00  0.255030D+00
               111           112           113           114           115 
      1  -0.348633D+00  0.391233D+01 -0.989793D+01  0.368129D+00  0.601710D+00
      2   0.859513D-02 -0.233853D+01  0.148165D+02 -0.284743D+00 -0.443507D+00
      3   0.340038D+00 -0.157380D+01 -0.491854D+01 -0.833863D-01 -0.158203D+00
      4   0.645727D+00  0.603490D+01  0.710139D+01 -0.624411D+00  0.752486D+00
      5  -0.331504D+01 -0.864781D+00  0.143396D-01  0.174692D+01  0.974199D+00
      6   0.600716D+00 -0.319891D+00 -0.122020D+01  0.282379D+01  0.734794D+00
               116           117 
      1   0.710341D+00 -0.243733D+01
      2  -0.356283D+00  0.136918D+01
      3  -0.354058D+00  0.106815D+01
      4   0.242503D+00  0.939280D+00
      5   0.124549D+01  0.184655D+00
      6   0.350181D+01 -0.515592D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x         -0.196944D+01     -0.500581D+01     -0.166976D+02
   y          0.818548D+00      0.208054D+01      0.693994D+01
   z          0.130346D+00      0.331305D+00      0.110512D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.546564D+02      0.809924D+01      0.901162D+01
   yx        -0.115539D+01     -0.171211D+00     -0.190498D+00
   yy         0.565124D+02      0.837427D+01      0.931763D+01
   zx        -0.526764D+00     -0.780583D-01     -0.868516D-01
   zy        -0.603703D+00     -0.894596D-01     -0.995372D-01
   zz         0.412617D+02      0.611436D+01      0.680314D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.554962D+02      0.822369D+01      0.915009D+01
   aniso      0.159898D+02      0.236945D+01      0.263636D+01
   xx         0.599172D+02      0.887881D+01      0.987901D+01
   yx        -0.110008D+01     -0.163015D+00     -0.181379D+00
   yy         0.615859D+02      0.912608D+01      0.101541D+02
   zx        -0.401229D+00     -0.594560D-01     -0.661537D-01
   zy        -0.549323D+00     -0.814013D-01     -0.905711D-01
   zz         0.449855D+02      0.666617D+01      0.741711D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.69331513         -2.64205114          1.60562862
     6          0.39873011         -0.71668640          1.14367371
     6          0.33292046          0.26468966         -1.59887574
     8         -0.07488828         -1.07544357         -3.38344942
     7          0.41460922          1.43496845          2.90440186
     8          0.83822232          2.73265519         -1.81446825
     1          2.23119114         -1.65856144          1.31066248
     1         -1.48585385         -3.49873772          3.46899664
     1         -3.54461588         -1.73251840          1.50460995
     1         -1.63870072         -4.11799966          0.17469475
     1         -1.35445702          1.83352113          3.52217324
     1          1.50278487          1.09733708          4.43765136
     1          1.05069201          3.33878048         -0.06881541

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.213675D+01      0.543108D+01      0.181161D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.427656D+02      0.633721D+01      0.705110D+01
   yx         0.441142D+01      0.653704D+00      0.727344D+00
   yy         0.539390D+02      0.799294D+01      0.889334D+01
   zx        -0.346574D-01     -0.513569D-02     -0.571423D-02
   zy         0.155618D+01      0.230602D+00      0.256579D+00
   zz         0.557258D+02      0.825771D+01      0.918794D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.554962D+02      0.822369D+01      0.915009D+01
   aniso      0.159898D+02      0.236945D+01      0.263636D+01
   xx         0.467868D+02      0.693309D+01      0.771410D+01
   yx         0.498120D+01      0.738138D+00      0.821289D+00
   yy         0.587990D+02      0.871311D+01      0.969465D+01
   zx        -0.242510D+00     -0.359363D-01     -0.399845D-01
   zy         0.153514D+01      0.227485D+00      0.253111D+00
   zz         0.609028D+02      0.902486D+01      0.100415D+02

 ----------------------------------------------------------------------
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 ACTORS ARE SO FORTUNATE.  THEY CAN CHOOSE WHETHER
 THEY WILL APPEAR IN A TRAGEDY OR IN COMEDY,
 WHETHER THEY WILL SUFFER OF MAKE MERRY,
 LAUGH OR SHED TEARS.  BUT IN REAL LIFE IT IS DIFFERENT.
 MOST MEN AND WOMEN ARE FORCED TO PERFORM
 PARTS FOR WHICH THEY HAVE NO QUALIFICATIONS.
 THE WORLD IS A STAGE, BUT THE PLAY IS BADLY CAST.

                                   -- OSCAR WILDE
 Job cpu time:       0 days  0 hours 47 minutes 39.7 seconds.
 Elapsed time:       0 days  0 hours  6 minutes  1.2 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:27:42 2021.
